542	818	961	0:SP2_SP2_SP3	N[5,6]	C[5]	S[6]	4:4:3:	3:2:1:	3:2:1:1:	C[5,6]-4:S[6]-4:C[5]-3:	N[5,6]-3:N[5]-2:H-1:	N[5,6]-3:O[6]-2:O-1:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(S[6]O[6]OO)(C[5]N[5]H)	C[5](N[5,6]C[5,6]S[6])(N[5]C[5])(H)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	N[5,6](C[5,6]C[6,6a]C[5]H)(S[6]O[6]OO)(C[5]N[5]H){1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]S[6])(N[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.0550	0.000	1	122.0550	0.000	1	122.0550	0.000	1	122.0550	0.000	1	116.6620	39.719	3	116.6620	39.719	3
542	818	961	0:SP2_SP2_SP3	N[5,6]	C[5]	S[6]	4:4:3:	3:3:1:	3:3:1:1:	C[5,6]-4:S[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{1|C<4>,3|C<3>,4|H<1>}	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	116.6620	39.719	3	116.6620	39.719	3
542	818	961	0:SP2_SP2_SP3	N[5,6]	C[5]	S[6]	4:4:3:	3:4:1:	3:2:1:1:	C[5,6]-4:S[6]-4:C[5]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6]-3:O[6]-2:O-1:O-1:	N[5,6](C[5,6]C[6,6a]C[5]C)(S[6]O[6]OO)(C[5]C[5]O)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(O)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	N[5,6](C[5,6]C[6,6a]C[5]C)(S[6]O[6]OO)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|O<1>,2|C<3>,3|C<4>}	118.1970	0.000	1	118.1970	0.000	1	118.1970	0.000	1	118.1970	0.000	1	116.6620	39.719	3	116.6620	39.719	3
542	818	961	0:SP3_SP2_SP3	N[5,6]	C[5]	S[6]	4:4:3:	3:3:1:	3:3:1:1:	C[5,6,6]-4:S[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]H)	C[5](N[5,6]C[5,6,6]S[6])(C[5]C[5,6,6]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]S[6])(C[5]C[5,6,6]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	111.0205	0.001	2	111.1510	0.052	3	111.1510	0.052	3
542	818	961	0:SP3_SP2_SP3	N[5,6]	C[5]	S[6]	4:4:3:	3:3:1:	3:3:1:1:	C[5,6]-4:S[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{1|C<4>,3|C<3>,4|H<1>}	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	111.0205	0.001	2	111.1510	0.052	3	111.1510	0.052	3
542	818	961	0:SP3_SP2_SP3	N[5,6]	C[5]	S[6]	4:4:3:	3:3:4:	3:3:1:1:	C[5,6]-4:S[6]-4:C[5]-3:	N[5,6]-3:C[5]-3:C-4:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]C)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO)	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO){2|C<3>,2|O<1>,3|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)2{2|C<4>,3|C<3>,3|H<1>}	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	111.1510	0.052	3	111.1510	0.052	3
542	818	961	6:SP2_SP2_SP3	N[5,6]	C[5,6]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:S[6]-4:	N[5,6]-3:N[5]-3:N[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO)	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	124.9490	0.000	1	122.8135	9.121	2	122.8135	9.121	2	122.8135	9.121	2	121.0703	27.259	4	121.0703	27.259	4
542	818	961	6:SP2_SP2_SP3	N[5,6]	C[5,6]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:S[6]-4:	N[5,6]-3:N[5]-3:N[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO)	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a]){2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	120.6780	0.000	1	122.8135	9.121	2	122.8135	9.121	2	122.8135	9.121	2	121.0703	27.259	4	121.0703	27.259	4
542	818	961	6:SP2_SP2_SP3	N[5,6]	C[5,6]	S[6]	3:4:4:	3:2:2:	3:3:1:1:	C[5,6]-3:C[5]-4:S[6]-4:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6]-3:C[6]-3:O-1:O-1:	N[5,6](C[5,6]N[6]S[5])(C[5]C[5]HH)(S[6]C[6]OO)	C[5,6](N[5,6]C[5]S[6])(N[6]C[6])(S[5]C[5])	S[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)2	N[5,6](C[5,6]N[6]S[5])(C[5]C[5]HH)(S[6]C[6]OO){1|C<3>,1|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]S[6])(N[6]C[6])(S[5]C[5]){1|C<3>,2|O<1>,5|H<1>}	S[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)2{1|C<4>,1|N<2>,1|S<2>,3|H<1>}	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	121.0703	27.259	4	121.0703	27.259	4
542	818	961	6:SP2_SP2_SP3	N[5,6]	C[5,6]	S[6]	3:4:4:	3:3:3:	3:2:1:1:	C[5,6]-3:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:O[6]-2:O-1:O-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(S[6]O[6]OO){2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,1|H<1>,4|C<3>}	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	121.0703	27.259	4	121.0703	27.259	4
542	818	961	6:SP3_SP2_SP3	N[5,6]	C[5,6]	S[6]	3:4:4:	3:3:3:	3:2:1:1:	C[5,6]-3:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:O[6]-2:O-1:O-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(S[6]O[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	S[6](N[5,6]C[5,6]C[5])(O[6]C[6,6a])(O)2{1|C<4>,2|H<1>,3|C<3>}	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1
542	818	969	0:SP2_SP-NON_SP2	N[5]	C[5]	Ga	3:3:3:	3:3:4:	3:3:3:	Ga-3:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6]-3:	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<4>,1|C<4>}	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)(C[6]C[6]2)	131.9450	0.000	1	131.9450	0.000	1	131.9450	0.000	1	131.9450	0.000	1	131.9450	0.000	1	131.9450	0.000	1
542	818	976	0:SP2_SP2_SP2	N[5,5]	C[5]	O[5]	4:3:2:	3:3:1:	3:3:	C[5,5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:N[5,5]-3:O-1:	N[5,5]-3:C[5]-3:	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]O[5])(O)	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5])	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(O[5]C[5]){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]O[5])(O){1|H<1>,1|O<2>,4|C<3>}	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]){1|O<1>,1|O<2>,5|C<3>}	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:1:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:Br-1:	N[5]-3:N[5]-2:	N[5](C[5]C[5]Br)(O[5]N[5])(O)	C[5](C[5]N[5]Br)(N[5]O[5]O)(Br)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Br)(O[5]N[5])(O){1|Br<1>}	C[5](C[5]N[5]Br)(N[5]O[5]O)(Br)	O[5](N[5]C[5]O)(N[5]C[5]){2|Br<1>}	107.1010	0.000	1	107.1010	0.000	1	107.2600	0.051	2	107.3717	0.036	4	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:1:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:Br-1:	N[5]-3:N[5]-2:	N[5](C[5]C[5]Br)(O[5]N[5])(O)	C[5](C[5]N[5]O)(N[5]O[5]O)(Br)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Br)(O[5]N[5])(O){1|O<2>}	C[5](C[5]N[5]O)(N[5]O[5]O)(Br)	O[5](N[5]C[5]O)(N[5]C[5]){1|Br<1>,1|O<2>}	107.4190	0.000	1	107.4190	0.000	1	107.2600	0.051	2	107.3717	0.036	4	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:1:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:Cl-1:	N[5]-3:N[5]-2:	N[5](C[5]C[5]Cl)(O[5]N[5])(O)	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Cl)(O[5]N[5])(O){1|O<2>}	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	O[5](N[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|O<2>}	107.4835	0.081	2	107.4835	0.007	2	107.4835	0.007	2	107.3717	0.036	4	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:2:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:C-2:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CN)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CN){1|N<2>,1|O<2>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<3>}	105.7760	0.000	1	105.7760	0.000	1	105.7760	0.000	1	106.7770	2.004	2	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:2:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:N-2:	N[5]-3:N[5]-2:	N[5](C[5]C[5]N)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(N[5]O[5]O)(NN)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]N)(O[5]N[5])(O){1|C<3>}	C[5](C[5]C[5]N[5])(N[5]O[5]O)(NN){1|C<3>,1|N<2>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<2>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	106.7770	2.004	2	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	108.5190	0.000	1	108.5298	0.092	4	107.8130	0.846	9	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	108.8710	0.000	1	108.5298	0.092	4	107.8130	0.846	9	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	108.3645	0.322	2	108.5298	0.092	4	107.8130	0.846	9	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	106.4235	0.272	2	106.8443	0.568	3	107.8130	0.846	9	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	107.6860	0.000	1	106.8443	0.568	3	107.8130	0.846	9	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O){4|N<2>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	108.3240	0.000	1	108.3240	0.000	1	107.8130	0.846	9	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]N[5]2)(C[5]N[5]C)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	C[5](C[5]N[5]2)(C[5]N[5]C)(N[5]O[5]O){2|N<2>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	107.3410	0.000	1	107.3410	0.000	1	107.8130	0.846	9	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5a]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	106.5660	0.474	2	107.3830	0.966	4	107.2767	0.556	7	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5a]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,3|N<2>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	108.2000	0.064	2	107.3830	0.966	4	107.2767	0.556	7	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5a]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|N<3>,1|O<1>,3|N<2>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	107.1350	0.408	3	107.1350	0.166	3	107.2767	0.556	7	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	106.4573	0.773	3	106.4573	0.597	3	107.0775	1.937	4	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){2|H<1>,4|C<3>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	108.9380	0.000	1	108.9380	0.000	1	107.0775	1.937	4	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:C-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]C)(N[5]O[5]O)(CClN)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]N[5]C)(N[5]O[5]O)(CClN)	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	107.6710	0.000	1	107.6710	0.000	1	107.7400	0.010	2	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:C-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]C)(N[5]O[5]O)(CNN)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]N[5]C)(N[5]O[5]O)(CNN)	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	107.8090	0.000	1	107.8090	0.000	1	107.7400	0.010	2	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	106.7790	0.119	2	106.5823	0.123	3	106.5912	0.160	5	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,2|N<2>,2|O<2>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	106.1890	0.000	1	106.5823	0.123	3	106.5912	0.160	5	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[5a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<3>,2|N<2>}	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|O<2>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	106.6045	0.629	2	106.6045	0.395	2	106.5912	0.160	5	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O){1|C<4>,4|C<3>}	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	107.7420	0.000	1	107.7420	0.000	1	107.9160	0.024	3	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|C<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O){2|C<3>,2|H<1>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<3>}	108.0330	0.000	1	108.0330	0.000	1	107.9160	0.024	3	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O){2|C<3>,2|H<1>}	O[5](N[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<3>}	107.9730	0.000	1	107.9730	0.000	1	107.9160	0.024	3	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(O[5]N[5])(O)	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]N[5])	N[5](C[5]C[6a]N[5])(O[5]N[5])(O){3|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	O[5](N[5]C[5]O)(N[5]N[5]){2|C<3>}	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	107.4665	0.939	31	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:4:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3){2|N<2>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>}	108.2220	0.000	1	108.2220	0.000	1	108.1162	0.224	12	108.1162	0.224	12	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:4:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH){2|C<3>}	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>}	107.9390	0.000	1	107.9390	0.000	1	108.1162	0.224	12	108.1162	0.224	12	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:4:	3:2:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]C)(N[5]O[5]O)(CH3)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]N[5]C)(N[5]O[5]O)(CH3)	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>}	108.1233	0.518	10	108.1233	0.269	10	108.1162	0.224	12	108.1162	0.224	12	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	3:3:4:	3:3:	C[5]-3:O[5]-2:O-1:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH)	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)	N[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	3:2:	C[5]-3:O[5]-2:O-1:	C[3x6]-4:C[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O)	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O)	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O){1|Br<1>,3|C<4>}	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O){3|C<4>,6|H<1>}	O[5](N[5]C[5]O)(N[5]C[5]){1|Br<1>,1|C<4>}	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:2:4:	3:3:2:	3:3:	C[5]-3:O[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3){1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]N[5]N)(N[5]C[5]C){1|C<3>}	107.4850	0.058	2	107.4850	0.003	2	107.4850	0.003	2	107.4850	0.003	2	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP2	N[5]	C[5]	O[5]	3:4:2:	3:3:3:	3:3:	C[5]-3:C-4:O[5]-2:	C[6a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>}	101.8670	0.000	1	101.8670	0.000	1	101.8670	0.000	1	101.8670	0.000	1	107.5500	1.498	54	107.5500	1.498	54
542	818	976	5:SP2_SP2_SP3	N[5,6]	C[5,6]	O[5]	3:2:3:	3:3:2:	3:6:	C[5,6]-3:O[5]-2:C[6]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	N[5,6]-3:In[3x5]-6:	N[5,6](C[5,6]C[6,6a]O[5])(O[5]In[3x5])(C[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5])	O[5](N[5,6]C[5,6]C[6])(In[3x5]O[5]5)	N[5,6](C[5,6]C[6,6a]O[5])(O[5]In[3x5])(C[6]C[6]C){1|H<1>,2|C<3>,4|O<2>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5]){1|H<1>,4|C<3>,4|O<2>}	O[5](N[5,6]C[5,6]C[6])(In[3x5]O[5]5){2|N<3>,5|C<3>}	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	117.5182	13.205	5	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5,6]	C[5,6]	O[5]	3:3:2:	3:3:2:	3:2:	C[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:S[5]-2:	N[5,6]-3:Ge[5]-2:	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]Ge[5])	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]Ge[5])	O[5](N[5,6]C[5,6]C[6])(Ge[5]S[5])	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]Ge[5]){1|C<3>,2|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]Ge[5]){1|C<3>,2|H<1>}	O[5](N[5,6]C[5,6]C[6])(Ge[5]S[5]){1|H<1>,2|C<3>}	120.7360	0.000	1	120.7360	0.000	1	120.7360	0.000	1	120.7360	0.000	1	117.5182	13.205	5	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5,6]	C[5,6]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:Si[5]-5:	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO){1|H<1>,2|C<3>}	113.7520	0.000	1	113.7520	0.000	1	114.0805	0.216	2	114.0805	0.216	2	117.5182	13.205	5	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5,6]	C[5,6]	O[5]	3:3:2:	3:3:2:	3:5:	C[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:Si[5]-5:	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC){1|H<1>,2|C<3>}	114.4090	0.000	1	114.4090	0.000	1	114.0805	0.216	2	114.0805	0.216	2	117.5182	13.205	5	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5,6]	C[5,6]	O[5]	3:3:2:	3:3:2:	6:3:	C[5,6]-3:C[6]-3:O[5]-2:	N[5,6]-3:C[6]-3:S[5]-2:	In[5]-6:N[5,6]-3:	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]In[5])	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]In[5])	O[5](In[5]O[5]2S[5]Cl2)(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]In[5]){2|Cl<1>,1|C<3>,2|H<1>,2|O<3>}	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]In[5]){2|Cl<1>,1|C<3>,2|H<1>,2|O<3>}	O[5](In[5]O[5]2S[5]Cl2)(N[5,6]C[5,6]C[6]){1|H<1>,2|C<3>,4|C<4>}	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	117.5182	13.205	5	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	2:3:1:	4:3:3:	4:3:	O[5]-2:C[5]-3:O-1:	C[5]-4:N[5]-3:C-3:	C[5,5]-4:N[5]-3:	N[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a]H)(N[5]O[5]O)(COO)	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]O)	N[5](O[5]C[5,5])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]O[5]O)(COO){4|C<3>}	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.7455	0.323	2	111.7455	0.104	2	111.7455	0.104	2	111.7455	0.104	2	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	3:3:4:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3)	O[5](C[5]C[5]HH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3){2|H<1>}	O[5](C[5]C[5]HH)(N[5]C[5]O){1|C<3>,1|C<4>}	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:1:	4:3:	C[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5]C[5]CO)(N[5]O[5]H)(O)	O[5](C[5]C[5]HH)(N[5]C[5]H)	N[5](C[5]C[5]O)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]O[5]H)(O){2|H<1>}	O[5](C[5]C[5]HH)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>}	114.0840	0.330	2	114.0840	0.109	2	114.0840	0.109	2	114.0840	0.109	2	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]O[5]O)(COO)	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]O)	N[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]O[5]O)(COO){4|C<3>}	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]O){1|H<1>,1|O<1>,3|C<3>}	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:N[5]-3:	N[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]O)(COO)	O[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]O)	N[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]O)(COO){1|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	111.1710	0.000	1	111.1710	0.000	1	111.1710	0.000	1	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(N[5]O[5]O)(CC[6a]C)	O[5](C[5]C[5]CH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]O[5]O)(CC[6a]C){1|C<3>,1|H<1>}	O[5](C[5]C[5]CH)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	112.8620	0.000	1	112.8620	0.000	1	111.2050	1.123	8	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(N[5]O[5]O)(COO)	O[5](C[5]C[5]N[5]H)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]O)(COO){1|H<1>,1|N<3>}	O[5](C[5]C[5]N[5]H)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	110.6840	0.000	1	110.6840	0.000	1	111.2050	1.123	8	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(N[5]O[5]O)(COO)	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]O)(COO){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O){2|H<1>,3|C<3>}	111.8780	0.000	1	111.8780	0.000	1	111.2050	1.123	8	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CC[6a]O)	O[5](C[5]C[5]CH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CC[6a]O){1|H<1>,3|C<3>}	O[5](C[5]C[5]CH)(N[5]C[5]O){1|H<1>,2|C<3>}	111.9100	0.000	1	111.9100	0.000	1	111.2050	1.123	8	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO)	O[5](C[5]C[5]CC)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO){1|C<4>,3|C<3>}	O[5](C[5]C[5]CC)(N[5]C[5]O){1|H<1>,2|C<3>}	111.2840	0.000	1	111.2840	0.000	1	111.2050	1.123	8	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO)	O[5](C[5]C[5]CH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO){1|H<1>,3|C<3>}	O[5](C[5]C[5]CH)(N[5]C[5]O){1|H<1>,2|C<3>}	111.3880	0.000	1	111.3880	0.000	1	111.2050	1.123	8	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:3:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO)	O[5](C[5]C[5]FH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|F<1>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO){1|F<1>,1|H<1>,2|C<3>}	O[5](C[5]C[5]FH)(N[5]C[5]O){1|H<1>,2|C<3>}	109.8170	0.023	2	109.8170	0.001	2	111.2050	1.123	8	111.2078	0.874	10	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-1:	C[5,5,6]-4:N[5]-3:C-4:	C[5,5,6]-4:N[5]-3:	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3)	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(N[5]C[5]O)	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(O){1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(N[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	111.1650	0.000	2	111.1650	0.000	2	111.1650	0.000	2	111.8268	0.379	8	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH)	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	112.3115	0.353	4	112.3115	0.124	4	112.0473	0.297	6	111.8268	0.379	8	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO)	O[5](C[5]C[5]CC)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO){4|C<3>}	O[5](C[5]C[5]CC)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	111.1480	0.000	1	111.1480	0.000	1	112.0473	0.297	6	111.8268	0.379	8	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:1:	4:3:4:	4:3:	C[5]-3:O[5]-2:O-1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO)	O[5](C[5]C[5]CH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO){1|H<1>,3|C<3>}	O[5](C[5]C[5]CH)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	111.8900	0.000	1	111.8900	0.000	1	112.0473	0.297	6	111.8268	0.379	8	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:2:3:	3:3:2:	4:3:	C[5]-3:O[5]-2:C-3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C){3|C<3>}	104.3610	0.000	1	104.3610	0.000	1	104.3610	0.000	1	104.3610	0.000	1	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	3:4:2:	3:3:4:	4:3:	C[5]-3:S-4:O[5]-2:	C[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(SC[6a]OO)(O[5]C[5])	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH)	O[5](C[5]C[6a]2C[5])(N[5]C[5]S)	N[5](C[5]C[5]C)(SC[6a]OO)(O[5]C[5]){1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH){2|C<3>}	O[5](C[5]C[6a]2C[5])(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP2_SP2_SP3	N[5]	C[5]	O[5]	4:3:2:	3:4:2:	4:3:	C[6]-4:C[5]-3:O[5]-2:	N[5]-3:C-4:O[5]-2:	B[5]-4:N[5]-3:	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5])	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5])	O[5](B[5]C[6a]2O[5])(N[5]C[5]C[6])	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5]){1|H<1>,2|C<3>,2|C<4>}	O[5](B[5]C[6a]2O[5])(N[5]C[5]C[6]){1|H<1>,3|C<4>,4|C<3>}	111.5670	0.000	1	111.5670	0.000	1	111.5670	0.000	1	111.5670	0.000	1	111.3050	4.142	26	112.3071	10.608	31
542	818	976	5:SP3_SP2_SP2	N[5,6]	C[5,6]	O[5]	4:3:2:	3:2:3:	3:3:	C[5,6]-4:C[5,6]-3:O[5]-2:	N[5,6]-3:N[6]-2:C[5]-3:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]N[6])(O[5]C[5])	C[5,6](N[5,6]C[5,6]O[5])(N[6]C[6,6])(C[5]C[5]H)	O[5](N[5,6]C[5,6]2)(C[5]C[5]C)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]N[6])(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]O[5])(N[6]C[6,6])(C[5]C[5]H){1|H<1>,5|C<4>}	O[5](N[5,6]C[5,6]2)(C[5]C[5]C){1|N<2>,2|C<4>,2|H<1>}	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1
542	818	976	5:SP3_SP2_SP3	N[5]	C[5]	O[5]	3:2:3:	3:3:2:	4:3:	C[5]-3:O[5]-2:C-3:	C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C){3|C<3>}	103.1740	0.000	1	103.1740	0.000	1	103.1740	0.000	1	103.1740	0.000	1	103.6747	0.189	3	103.6747	0.189	3
542	818	976	5:SP3_SP2_SP3	N[5]	C[5]	O[5]	3:3:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	103.9250	0.054	2	103.9250	0.003	2	103.9250	0.003	2	103.9250	0.003	2	103.6747	0.189	3	103.6747	0.189	3
542	818	982	5:SP2_SP2_SPD5	N[5]	C[5]	Ge[3,3,5]	5:3:3:	3:3:1:	3:3:3:3:4:	Ge[3,3,5]-5:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	N[3]-3:N[3]-3:N[5]-3:N[5]-3:B[3,3]-4:	N[5](Ge[3,3,5]B[3,3]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Ge[3,3,5]C[6a])(C[5]N[5]H)(H)	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]C[5])2(B[3,3]N[3]2N)	N[5](Ge[3,3,5]B[3,3]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](N[5]Ge[3,3,5]C[6a])(C[5]N[5]H)(H){1|B<4>,2|N<3>,3|C<3>}	Ge[3,3,5](N[3]B[3,3]C[6a])2(N[5]C[6a]C[5])2(B[3,3]N[3]2N){2|H<1>,8|C<3>}	108.5558	0.805	4	108.5558	0.648	4	108.5558	0.648	4	108.5558	0.648	4	108.5558	0.648	4	108.5558	0.648	4
542	818	983	0:SP2_SP1_SP2	N[5]	C[5,6]	C	3:3:2:	3:3:2:	3:3:	C[5,6]-3:C[5]-3:C-2:	C[5,6]-3:N[5]-3:C[6]-2:	N[5]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CC[6a])	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6])	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CC[6a]){1|C<4>,2|C<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6]){1|Pd<4>,1|C<2>,1|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)	124.9290	0.000	1	124.9290	0.000	1	124.9290	0.000	1	124.9290	0.000	1	124.9290	0.000	1	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:2:2:	3:3:1:	3:2:	C[5]-3:C[5]-2:C-2:	C[5]-3:N[5]-3:O-1:	N[5]-3:C-2:	N[5](C[5]C[5]O)(C[5]C[5])(CC)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	C(N[5]C[5]2)(CO)	N[5](C[5]C[5]O)(C[5]C[5])(CC){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>}	C(N[5]C[5]2)(CO)	123.2075	1.388	2	123.2075	1.927	2	123.2075	1.927	2	123.2075	1.927	2	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:2:1:	3:2:	C[5,6a]-3:C[5]-3:C-2:	N[5]-3:Se[5]-2:S-1:	N[5]-3:C-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S)	C(N[5]C[5,6a]C[5])(CN[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(S){2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5])	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)	126.6530	0.000	1	126.6530	0.000	1	126.6530	0.000	1	126.6530	0.000	1	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:1:	3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)	127.9870	0.000	1	127.9870	0.000	1	126.3553	2.320	3	126.3553	2.320	3	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:1:	3:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)	125.5395	0.804	2	125.5395	0.646	2	126.3553	2.320	3	126.3553	2.320	3	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:1:	3:4:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)	127.6520	0.000	1	127.6520	0.000	1	127.6520	0.000	1	126.5410	2.469	2	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:1:	3:4:	C[5]-3:C[5]-3:C-2:	N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC)	C[5](N[5]C[5]C)2(H)	C(N[5]C[5]2)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2(H){2|H<1>}	C(N[5]C[5]2)(CCHH)	125.4300	0.000	1	125.4300	0.000	1	125.4300	0.000	1	126.5410	2.469	2	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:1:	4:3:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C(C[5]C[5]2Fe)(N[5]C[5]2)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<2>}	C(C[5]C[5]2Fe)(N[5]C[5]2)	126.2100	0.000	1	126.2100	0.000	1	126.2100	0.000	1	126.2100	0.000	1	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:2:	3:3:	C[5]-3:C[5]-3:C-2:	N[5]-3:N[5]-3:Se-2:	C[6a]-3:N[5]-3:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a])	C[5](N[5]C[5]C)2(SeI)	C(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2(SeI){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)	126.1935	1.346	2	126.1935	1.811	2	126.1935	1.811	2	126.1935	1.811	2	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:4:	3:1:	C[5]-3:C[5]-3:C-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH)	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH)	C(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH){2|H<1>}	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH){2|H<1>}	C(N[5]C[5]2)(H)	124.4240	0.000	1	124.4240	0.000	1	124.4240	0.000	1	124.4240	0.000	1	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[5]-3:C-2:	N[5]-3:N[5]-3:C-4:	N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC)	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	C(N[5]C[5,6a]C[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC){1|Ge<5>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)	126.7260	0.000	1	126.7260	0.000	1	126.7260	0.000	1	126.7260	0.000	1	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	4:3:2:	3:2:1:	3:2:	C[5]-4:C[5]-3:C-2:	N[5]-3:O[5]-2:O-1:	N[5]-3:C-2:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC)	C[5](N[5]C[5]C)(O[5]C[5])(O)	C(N[5]C[5]2)(CC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	C(N[5]C[5]2)(CC)	122.8330	1.240	2	122.8330	1.538	2	122.7707	0.781	3	122.7707	0.781	3	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	4:3:2:	3:2:1:	3:2:	C[5]-4:C[5]-3:C-2:	N[5]-3:O[5]-2:O-1:	N[5]-3:C-2:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC)	C[5](N[5]C[5]C)(O[5]C[5])(O)	C(N[5]C[5]2)(CC)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC){2|C<3>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	C(N[5]C[5]2)(CC)	122.6460	0.000	1	122.6460	0.000	1	122.7707	0.781	3	122.7707	0.781	3	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	4:3:2:	3:3:3:	3:4:	Ga[5,5]-4:C[5]-3:C-2:	N[5]-3:C[5]-3:C-3:	N[5]-3:C-4:	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CC)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	C(N[5]Ga[5,5]C[5])(CCHH)	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CC){3|C<3>,3|C<4>}	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<4>,2|N<3>}	C(N[5]Ga[5,5]C[5])(CCHH)	122.6020	0.000	1	122.6020	0.000	1	122.6020	0.000	1	122.6020	0.000	1	124.4778	6.647	19	124.5003	6.307	20
542	818	983	0:SP2_SP1_SP2	N[5]	C[5]	C	4:3:2:	4:3:3:	3:3:	P[5]-4:C[5]-3:C-2:	C[5]-4:N[5]-3:C-3:	N[5]-3:C[6a]-3:	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a])	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC)	C(N[5]C[5]P[5])(C[6a]C[6a]2)	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC){1|B<4>,1|C<3>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	124.4778	6.647	19	124.5003	6.307	20
542	818	984	0:SP2_SP-NON_SP2	N[5]	C[5]	Ga	3:3:4:	3:3:1:	3:3:4:4:	C[5,6a]-3:C[5]-3:Ga-4:	N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C-4:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	C[5](N[5]C[5,6a]Ga)2(H)	Ga(N[5]C[5,6a]C[5])2(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Ga)2(H){2|C<3>}	Ga(N[5]C[5,6a]C[5])2(CH3)2	126.7275	2.008	4	126.7275	4.032	4	126.7275	4.032	4	126.7275	4.032	4	127.9964	10.931	7	127.9964	10.931	7
542	818	984	0:SP2_SP-NON_SP2	N[5]	C[5]	Ga	3:3:4:	3:3:4:	3:3:3:3:	N[5]-3:C[5]-3:Ga-4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)3	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<3>,1|C<4>}	Ga(N[5]C[5]N[5])(C[6a]C[6a]2)3	134.7460	0.000	1	134.7460	0.000	1	134.7460	0.000	1	134.7460	0.000	1	127.9964	10.931	7	127.9964	10.931	7
542	818	984	0:SP2_SP-NON_SP2	N[5]	C[5]	Ga	3:3:4:	3:3:4:	3:3:4:4:	C[5,6a]-3:C[5]-3:Ga-4:	N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	C[5](N[5]C[5,6a]Ga)2(CH3)	Ga(N[5]C[5,6a]C[5])2(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Ga)2(CH3){2|C<3>}	Ga(N[5]C[5,6a]C[5])2(CH3)2	127.1595	0.298	2	127.1595	0.089	2	127.1595	0.089	2	127.1595	0.089	2	127.9964	10.931	7	127.9964	10.931	7
542	818	987	0:SP2_SP-NON_SP2	N[5,5]	C[5,6]	P[5]	3:3:2:	3:3:4:	3:3:	C[5,6]-3:N[5,5]-3:P[5]-2:	N[5,5]-3:C[5,6]-3:C[6]-4:	N[5,5]-3:C[5,6]-3:	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6])	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){1|Sn<3>,2|H<1>,4|C<4>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6]){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	133.6360	0.000	1	134.0558	0.378	5	134.0558	0.378	5	134.0558	0.378	5	134.0558	0.378	5	134.0558	0.378	5
542	818	987	0:SP2_SP-NON_SP2	N[5,5]	C[5,6]	P[5]	3:3:2:	3:3:4:	3:3:	C[5,6]-3:N[5,5]-3:P[5]-2:	N[5,5]-3:C[5,6]-3:C[6]-4:	N[5,5]-3:C[5,6]-3:	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6])	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){2|H<1>,4|C<4>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	P[5](N[5,5]C[5,6]N[5,5])(C[5,6]C[5,6]C[6]){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	134.1608	0.656	4	134.0558	0.378	5	134.0558	0.378	5	134.0558	0.378	5	134.0558	0.378	5	134.0558	0.378	5
542	818	987	5:SP2_SP-NON_SP2	N[5,5]	C[5,5]	P[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[5,5]-3:P[5]-2:	N[5,5]-3:N[5,5]-3:S[5]-2:	N[5,5]-3:C[5,5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5])	C[5,5](N[5,5]C[5,6a]C[5,5])(N[5,5]C[5,6a]P[5])(S[5]C[5,6a])	P[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]S[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5]){1|H<1>,1|S<2>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(N[5,5]C[5,6a]P[5])(S[5]C[5,6a]){1|S<2>,4|C<3>}	P[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]S[5]){1|S<2>,4|C<3>}	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5,6]	C[5,6]	P[5]	3:2:3:	3:3:3:	3:3:	C[5,6]-3:P[5]-2:C[6]-3:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6])(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	P[5](C[5,6]N[5,6]C[6])(N[5,6]C[5,6]C[6]){2|H<1>,4|C<3>}	115.6970	0.000	2	115.6970	0.000	2	115.6970	0.000	2	115.6970	0.000	2	116.2366	2.691	7	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5,6]	C[5,6]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6]-3:C[6,6a]-3:P[5]-2:	C[6,6a]-3:N[5,6]-3:N[5,6]-3:	C[5,6]-3:N[5,6]-3:	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6])	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6]){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6]){6|C<3>}	114.8670	0.000	1	114.8670	0.000	1	114.8670	0.000	1	116.4524	3.833	5	116.2366	2.691	7	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5,6]	C[5,6]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6]-3:C[6]-3:P[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6]-3:N[5]-3:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(P[5]N[5])	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(P[5]N[5]){2|C<3>,3|H<1>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,3|C<3>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){1|H<1>,5|C<3>}	118.3125	1.824	2	118.3125	3.326	2	117.2090	5.316	3	116.4524	3.833	5	116.2366	2.691	7	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5,6]	C[5,6]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6]-3:C[6]-3:P[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6]-3:N[5]-3:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5])	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]){2|C<3>,3|H<1>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	115.0020	0.000	1	115.0020	0.000	1	117.2090	5.316	3	116.4524	3.833	5	116.2366	2.691	7	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5,6]	C[5,6]	P[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[5,6]-3:P[5]-2:	N[5,6]-3:N[5,6]-3:C[6]-3:	N[5,6]-3:C[5,6]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6])	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H)	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6]){2|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H){1|H<1>,5|C<3>}	P[5](N[5,6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[6]){1|H<1>,5|C<3>}	115.7680	0.000	1	115.7680	0.000	1	115.7680	0.000	1	116.4524	3.833	5	116.2366	2.691	7	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5,5]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[5,5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	P[5](N[5]C[5,5]C[6a])2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	P[5](N[5]C[5,5]C[6a])2{6|C<3>}	112.7814	1.179	10	112.9266	1.026	14	112.9266	1.026	14	112.9266	1.026	14	112.9266	1.026	14	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5,5]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[5,5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	P[5](N[5]C[5,5]C[6a])2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	P[5](N[5]C[5,5]C[6a])2{6|C<3>}	113.2895	0.178	4	112.9266	1.026	14	112.9266	1.026	14	112.9266	1.026	14	112.9266	1.026	14	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:P[5]-2:N-2:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5])	C[5](N[5]C[6a]P[5])(P[5]N[5])(NC[6a])	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5])	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5]){5|C<3>}	C[5](N[5]C[6a]P[5])(P[5]N[5])(NC[6a]){3|C<3>}	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5]){1|N<2>,4|C<3>}	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	114.3775	2.330	40	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	3:3:2:	3:3:1:	3:3:	C[5]-3:C[6a]-3:P[5]-2:	C[5,6]-3:N[5]-3:H-1:	N[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){1|H<1>,5|C<3>}	117.5285	0.718	2	117.3670	0.336	3	117.3670	0.336	3	114.2430	2.788	17	114.3775	2.330	40	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	3:3:2:	3:3:1:	3:3:	C[5]-3:C[6a]-3:P[5]-2:	C[5,6]-3:N[5]-3:H-1:	N[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	P[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	117.0440	0.000	1	117.3670	0.336	3	117.3670	0.336	3	114.2430	2.788	17	114.3775	2.330	40	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	3:3:2:	3:3:1:	3:3:	C[5]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a]){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|H<1>,4|C<3>}	115.3370	0.000	1	115.3370	0.000	1	115.3370	0.000	1	114.2430	2.788	17	114.3775	2.330	40	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5])	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){3|C<3>}	P[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	113.4379	0.647	13	113.4379	0.419	13	113.4379	0.419	13	114.2430	2.788	17	114.3775	2.330	40	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5])	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3)	P[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3){3|C<3>}	P[5](N[5]C[6a]C[5])2{2|C<4>,4|C<3>}	114.7184	0.859	10	114.7184	0.738	10	114.7184	0.738	10	114.7184	0.738	10	114.3775	2.330	40	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	3:4:2:	3:3:1:	3:3:	C[5]-3:C-4:P[5]-2:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	P[5](N[5]C[5]C)2	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|C<4>}	P[5](N[5]C[5]C)2{2|H<1>}	114.1110	0.119	2	114.1110	0.014	2	114.1110	0.014	2	114.1110	0.014	2	114.3775	2.330	40	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	4:3:2:	3:3:1:	3:3:	C[6]-4:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5])	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H)	P[5](N[5]C[5]C[6])2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,2|C<4>}	P[5](N[5]C[5]C[6])2{2|C<3>,2|C<4>,4|H<1>}	114.1350	0.021	2	114.1350	0.000	2	113.8344	1.290	10	113.8344	1.290	10	114.3775	2.330	40	114.2827	2.877	62
542	818	987	5:SP2_SP-NON_SP2	N[5]	C[5]	P[5]	4:3:2:	3:3:1:	3:3:	C[6]-4:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5])	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H)	P[5](N[5]C[5]C[6])2	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5]){3|C<4>,5|H<1>}	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H){1|H<1>,3|C<4>}	P[5](N[5]C[5]C[6])2{4|C<4>,4|H<1>}	113.7592	1.275	8	113.7592	1.626	8	113.8344	1.290	10	113.8344	1.290	10	114.3775	2.330	40	114.2827	2.877	62
542	818	989	5:SP2_SP2_SP2	N[5]	C[5]	Si[5]	3:3:4:	6:3:2:	6:3:3:	Si[5]-3:C[5]-3:C-4:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|N<3>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC){1|C<3>,4|H<1>,5|B<6>}	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1
542	818	992	0:SP2_SP2_SP3	N[5]	C[5,6]	P	3:3:4:	4:3:3:	3:3:3:1:	C[5,6a]-3:C[5,6]-3:P-4:	C[5,6]-4:N[5]-3:C[6]-3:	N[5]-3:N-3:N-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	P(N[5]C[5,6a]C[5,6])(NCC)2(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P(N[5]C[5,6a]C[5,6])(NCC)2(O)	129.4645	0.296	2	129.4645	0.088	2	129.4645	0.088	2	129.4645	0.088	2	129.4645	0.088	2	127.2823	7.026	15
542	818	992	0:SP2_SP2_SP3	N[5]	C[5]	P	3:2:4:	3:3:1:	3:4:4:2:	C[5]-3:C[5]-2:P-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:O-2:	N[5](C[5]C[5]H)(C[5]N[5])(PCCO)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	P(N[5]C[5]2)(CC3)2(OAl)	N[5](C[5]C[5]H)(C[5]N[5])(PCCO){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|C<3>}	P(N[5]C[5]2)(CC3)2(OAl)	125.7130	0.000	1	125.7130	0.000	1	125.7130	0.000	1	125.7130	0.000	1	126.9466	7.274	13	127.2823	7.026	15
542	818	992	0:SP2_SP2_SP3	N[5]	C[5]	P	3:3:4:	3:3:1:	3:2:2:1:	C[5]-3:C[5]-3:P-4:	C[5,6a]-3:N[5]-3:O-1:	N[5]-3:O-2:O-2:S-1:	N[5](C[5]C[5,6a]O)2(POOS)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(O)	P(N[5]C[5]2)(OC)2(S)	N[5](C[5]C[5,6a]O)2(POOS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(O){1|H<1>,1|O<1>,2|C<3>}	P(N[5]C[5]2)(OC)2(S)	125.3170	0.840	4	125.3170	0.706	4	125.3170	0.706	4	125.3170	0.706	4	126.9466	7.274	13	127.2823	7.026	15
542	818	992	0:SP2_SP2_SP3	N[5]	C[5]	P	3:3:4:	3:3:1:	3:3:3:1:	N[5]-3:C[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:N[5]-3:O-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(PN[5]2O)	C[5](C[5]C[5]H)(N[5]N[5]P)(H)	P(N[5]C[5]N[5])3(O)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(PN[5]2O){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]N[5]P)(H){1|Cu<4>,1|C<4>}	P(N[5]C[5]N[5])3(O)	126.1783	0.537	3	126.1783	0.288	3	126.1783	0.288	3	126.1783	0.288	3	126.9466	7.274	13	127.2823	7.026	15
542	818	992	0:SP2_SP2_SP3	N[5]	C[5]	P	3:3:4:	3:3:1:	3:4:4:2:	C[5]-3:C[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:O-2:	N[5](C[5]N[5]Al)(C[5]C[5]H)(PCCO)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	P(N[5]C[5]2)(CC3)2(OAl)	N[5](C[5]N[5]Al)(C[5]C[5]H)(PCCO){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Al<5>,1|C<3>}	P(N[5]C[5]2)(CC3)2(OAl)	132.7340	0.826	2	132.7340	0.682	2	132.7340	0.682	2	132.7340	0.682	2	126.9466	7.274	13	127.2823	7.026	15
542	818	992	0:SP2_SP2_SP3	N[5]	C[5]	P	4:3:4:	3:2:1:	3:3:4:1:	C[5]-4:C[5]-3:P-4:	N[5]-3:O[5]-2:O-1:	C[6a]-3:N[5]-3:C-4:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(PC[6a]CO)	C[5](N[5]C[5]P)(O[5]C[5])(O)	P(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(PC[6a]CO){2|C<4>}	C[5](N[5]C[5]P)(O[5]C[5])(O){1|H<1>,3|C<4>}	P(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(O)	126.9785	0.708	2	126.9785	0.501	2	126.9785	0.501	2	126.9785	0.501	2	126.9466	7.274	13	127.2823	7.026	15
542	818	992	0:SP2_SP2_SP3	N[5]	C[5]	P	4:3:4:	3:3:3:	3:4:4:1:	C[5]-4:C[5]-3:P-4:	N[5]-3:N[5]-3:C-3:	N[5]-3:C-4:C-4:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(PCCO)	C[5](N[5]C[6a]C[5])(N[5]C[5]P)(COO)	P(N[5]C[5]2)(CC3)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]C)(PCCO){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]P)(COO){2|C<3>,4|H<1>}	P(N[5]C[5]2)(CC3)2(O)	125.3650	0.000	1	125.3650	0.000	1	125.3650	0.000	1	125.3650	0.000	1	126.9466	7.274	13	127.2823	7.026	15
542	818	992	0:SP3_SP2_SP3	N[5]	C[5]	P	3:3:4:	4:3:1:	3:3:3:2:	C[5]-3:C[5]-3:P-4:	C[3,5]-4:N[5]-3:H-1:	C[6]-3:N[5]-3:N-3:N-2:	N[5](C[5]C[3,5]H)2(PC[6]NN)	C[5](C[3,5]C[3,5]H[3]H)(N[5]C[5]P)(H)	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	N[5](C[5]C[3,5]H)2(PC[6]NN){1|H<2>,3|H<1>}	C[5](C[3,5]C[3,5]H[3]H)(N[5]C[5]P)(H){3|H<1>}	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	124.7240	0.000	1	124.7240	0.000	1	124.7240	0.000	1	124.7240	0.000	1	123.1160	5.171	2	123.1160	5.171	2
542	818	992	0:SP3_SP2_SP3	N[5]	C[5]	P	3:3:4:	5:3:1:	3:3:3:2:	C[5]-3:C[5]-3:P-4:	C[3,5]-5:N[5]-3:H-1:	C[6]-3:N[5]-3:N-3:N-2:	N[5](C[5]C[3,5]H)2(PC[6]NN)	C[5](C[3,5]C[3,5]H[3]HH)(N[5]C[5]P)(H)	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	N[5](C[5]C[3,5]H)2(PC[6]NN){1|H<2>,3|H<1>}	C[5](C[3,5]C[3,5]H[3]HH)(N[5]C[5]P)(H){2|H<1>}	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	121.5080	0.000	1	121.5080	0.000	1	121.5080	0.000	1	121.5080	0.000	1	123.1160	5.171	2	123.1160	5.171	2
542	818	996	5:SP2_SP2_SP3	N[5]	C[5]	Si[4,5]	4:3:3:	3:3:1:	3:3:3:2:	Si[4,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	N[4]-3:N[5]-3:N[5]-3:O[4]-2:	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Si[4,5]C[6a])(C[5]N[5]H)(H)	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4])	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]Si[4,5]C[6a])(C[5]N[5]H)(H){1|N<3>,1|O<2>,3|C<3>}	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	107.4378	0.921	5	107.4378	0.921	5
542	818	996	5:SP2_SP2_SP3	N[5]	C[5]	Si[4,5]	4:3:3:	3:3:4:	4:4:3:3:	Si[4,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[4,5]-4:C[4,5]-4:N[5]-3:N-3:	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]Si[4,5]C[6a])(C[5]C[4,5]H)(CH3)	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H)	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<3>,5|C<4>}	C[5](N[5]Si[4,5]C[6a])(C[5]C[4,5]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	Si[4,5](C[4,5]C[4,5]C[5]C)2(N[5]C[6a]C[5])(NC[6a]H){1|H<1>,2|C<4>,5|C<3>}	105.8900	0.000	1	105.8900	0.000	1	105.8900	0.000	1	105.8900	0.000	1	107.4378	0.921	5	107.4378	0.921	5
542	818	996	5:SP2_SP2_SP3	N[5]	C[5]	Si[4,5]	4:3:4:	3:3:1:	3:3:3:3:	Si[4,5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	As[4]-3:As[4]-3:N[5]-3:N[5]-3:	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3)	C[5](N[5]Si[4,5]C)(C[5]N[5]H)(H)	Si[4,5](As[4]Si[4,5]Zn)2(N[5]C[5]C)2	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>}	C[5](N[5]Si[4,5]C)(C[5]N[5]H)(H){2|As<3>,1|C<4>}	Si[4,5](As[4]Si[4,5]Zn)2(N[5]C[5]C)2{2|H<1>,2|N<3>}	107.4180	0.112	2	107.4180	0.012	2	107.4180	0.012	2	107.4180	0.012	2	107.4378	0.921	5	107.4378	0.921	5
542	818	996	5:SP2_SP2_SP3	N[5]	C[5]	Si[4,5]	4:3:4:	3:3:1:	4:4:3:2:	Si[4,5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	N[4,5]-4:N[4,5]-4:N[5]-3:N-2:	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3)	C[5](N[5]Si[4,5]C)(C[5]N[4,5]H)(H)	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a])	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>}	C[5](N[5]Si[4,5]C)(C[5]N[4,5]H)(H){1|Si<4>,1|C<4>,1|N<2>,1|N<4>}	Si[4,5](N[4,5]Si[4,5]C[5]C)2(N[5]C[5]C)(NB[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	107.4378	0.921	5	107.4378	0.921	5
542	818	996	5:SP3_SP2_SP3	N[5]	C[5]	Si[4,5]	4:3:3:	3:3:1:	3:3:3:2:	Si[4,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	N[4]-3:N[5]-3:N[5]-3:O[4]-2:	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Si[4,5]C[6a])(C[5]N[5]H)(H)	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4])	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]Si[4,5]C[6a])(C[5]N[5]H)(H){1|N<3>,1|O<2>,3|C<3>}	Si[4,5](N[4]B[5a]C[4])(N[5]C[6a]C[5])2(O[4]C[4]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1
542	818	997	5:SP2_SP2_SP3	N[5,5]	C[5,5]	Se[5]	3:2:4:	3:3:2:	3:3:	C[5,5]-3:Se[5]-2:C[5]-4:	C[5,6a]-3:N[5,5]-3:O[5]-2:	C[5,6a]-3:N[5,5]-3:	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]CC){2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	115.7100	0.000	1	115.7100	0.000	1	113.8525	2.014	4	113.8525	2.014	4	113.8525	2.014	4	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5,5]	C[5,5]	Se[5]	3:2:4:	3:3:2:	3:3:	C[5,5]-3:Se[5]-2:C[5]-4:	C[5,6a]-3:N[5,5]-3:O[5]-2:	C[5,6a]-3:N[5,5]-3:	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.2333	0.849	3	113.2333	0.721	3	113.8525	2.014	4	113.8525	2.014	4	113.8525	2.014	4	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5,6]	C[5,6]	Se[5]	3:3:2:	3:3:3:	3:2:	C[5,6]-3:C[6]-3:Se[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6]-3:N[5]-2:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(Se[5]N[5])	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	Se[5](N[5,6]C[5,6]C[6])(N[5]C[5])	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(Se[5]N[5]){2|C<3>,2|H<1>}	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>}	Se[5](N[5,6]C[5,6]C[6])(N[5]C[5]){1|H<1>,3|C<3>}	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:1:	3:3:1:	3:3:	C[5]-3:Se[5]-2:O-1:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O){2|C<3>,2|H<1>}	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	115.5488	0.832	13	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	114.0595	0.078	2	114.0595	0.006	2	114.0595	0.006	2	115.5488	0.832	13	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	116.6130	0.000	1	115.7407	0.451	10	115.7407	0.451	10	115.5488	0.832	13	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	116.5710	0.000	1	115.7407	0.451	10	115.7407	0.451	10	115.5488	0.832	13	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	115.2188	0.474	4	115.7407	0.451	10	115.7407	0.451	10	115.5488	0.832	13	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,4|C<3>}	115.7800	0.000	1	115.7407	0.451	10	115.7407	0.451	10	115.5488	0.832	13	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,4|C<3>}	115.8560	0.632	3	115.7407	0.451	10	115.7407	0.451	10	115.5488	0.832	13	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:4:	3:3:1:	3:2:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-2:	N[5](C[5]C[5]H)(Se[5]N[5])(CC3)	C[5](N[5]Se[5]C)(C[5]N[5]H)(H)	Se[5](N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[5]H)(Se[5]N[5])(CC3){1|H<1>}	C[5](N[5]Se[5]C)(C[5]N[5]H)(H)	Se[5](N[5]C[5]C)(N[5]C[5]){2|H<1>}	110.2616	0.859	12	110.2616	0.738	12	110.2616	0.738	12	110.2616	0.738	12	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:4:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|O<1>,3|C<3>}	115.5480	0.000	1	115.5480	0.000	1	116.7089	0.342	14	116.7089	0.342	14	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:4:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	115.9670	0.000	1	115.9670	0.000	1	116.7089	0.342	14	116.7089	0.342	14	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:4:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	116.3473	0.111	3	116.3473	0.012	3	116.7089	0.342	14	116.7089	0.342	14	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:4:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	116.3810	0.000	1	117.0409	0.143	9	116.7089	0.342	14	116.7089	0.342	14	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:2:4:	3:3:1:	3:3:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	117.1234	0.306	8	117.0409	0.143	9	116.7089	0.342	14	116.7089	0.342	14	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[5]-3:Se[5]-2:	N[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5])	C[5](N[5]C[6a]Se[5])(C[5]N[5]H)(H)	Se[5](N[5]C[6a]C[5])2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Se[5])(C[5]N[5]H)(H){3|C<3>}	Se[5](N[5]C[6a]C[5])2{2|H<1>,4|C<3>}	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	4:3:2:	3:3:1:	3:3:	C[6]-4:C[5]-3:Se[5]-2:	N[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5])	C[5](N[5]Se[5]C[6])(C[5]N[5]H)(H)	Se[5](N[5]C[5]C[6])2	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5]){3|C<4>,5|H<1>}	C[5](N[5]Se[5]C[6])(C[5]N[5]H)(H){1|H<1>,3|C<4>}	Se[5](N[5]C[5]C[6])2{4|C<4>,4|H<1>}	113.5738	0.474	4	113.5738	0.225	4	113.5738	0.225	4	113.9796	0.992	5	114.3348	7.240	46	114.2358	6.840	51
542	818	997	5:SP2_SP2_SP3	N[5]	C[5]	Se[5]	4:3:2:	3:3:1:	3:3:	C[6]-4:C[5]-3:Se[5]-2:	N[5]-3:C[5]-3:O-1:	N[5]-3:C[5]-3:	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5])	C[5](N[5]Se[5]C[6])(C[5]C[5]N)(O)	Se[5](N[5]C[5]C[6])(C[5]C[5]C)	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](N[5]Se[5]C[6])(C[5]C[5]N)(O){1|C<3>,1|H<1>,2|C<4>}	Se[5](N[5]C[5]C[6])(C[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	115.6030	0.000	1	115.6030	0.000	1	115.6030	0.000	1	113.9796	0.992	5	114.3348	7.240	46	114.2358	6.840	51
542	818	999	5:SP2_SP2_SP3	N[5]	C[5]	N[5,5]	4:3:4:	3:3:1:	4:4:3:1:	N[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:S-1:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	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>}	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1
542	818	999	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:4:1:	4:3:4:1:	C[5]-4:N[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	110.5280	5.794	2
542	818	999	5:SP3_SP2_SP3	N[5]	C[5]	N[5,5]	4:3:4:	3:3:1:	4:4:3:1:	N[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:S-1:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	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>}	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	110.5280	5.794	2
542	846	952	0:SP3_SP2_SP3	N[5]	C[4,5]	S	3:4:4:	4:3:3:	3:3:1:1:	C[4,5]-3:C[5]-4:S-4:	C[4,5,6]-4:C[4]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[4,5]C[4,5,6]C[4])(C[5]C[5,6]HH)(SC[6a]OO)	C[4,5](C[4,5,6]C[4,6]C[5,6]H)(C[4]C[4,6]C[6a])(N[5]C[5]S)	S(N[5]C[4,5]C[5])(C[6a]C[6a]2)(O)2	N[5](C[4,5]C[4,5,6]C[4])(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5,6]H)(C[4]C[4,6]C[6a])(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	S(N[5]C[4,5]C[5])(C[6a]C[6a]2)(O)2	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1
542	852	987	5:SP3_SP-NON_SP3	N[5]	P[3,5]	P[5]	3:3:2:	3:3:3:	3:3:	P[3,5]-3:C[6a]-3:P[5]-2:	N[3]-3:P[3,5]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5])	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5])	P[5](N[5]P[3,5]C[6a])(C[5]P[3,5]C)	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5]){1|C<4>,5|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5]){1|C<4>,4|C<3>}	P[5](N[5]P[3,5]C[6a])(C[5]P[3,5]C){1|N<3>,2|C<3>}	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1
542	857	880	0:SP2_SP2_SP3	N[5]	Ge[4,5]	Si	3:2:4:	4:3:3:	3:4:4:4:	Ge[4,5]-3:N[5]-2:Si-4:	C[4,5]-4:N[4]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3)	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si)	Si(N[5]Ge[4,5]N[5])(CH3)3	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3){1|Si<4>,2|P<4>}	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si){2|C<3>}	Si(N[5]Ge[4,5]N[5])(CH3)3	128.7330	0.000	1	128.7330	0.000	1	128.7330	0.000	1	128.7330	0.000	1	128.7330	0.000	1	128.7330	0.000	1
542	857	960	5:SP2_SP2_SP2	N[5]	Ge[4,5]	N[5]	3:2:4:	4:3:3:	3:2:	Ge[4,5]-3:N[5]-2:Si-4:	C[4,5]-4:N[4]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3)	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si)	N[5](N[5]Ge[4,5]Si)(N[5]C[4,5])	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3){1|Si<4>,2|P<4>}	Ge[4,5](C[4,5]N[5]P[4]P)(N[4]P[4]Si)(N[5]N[5]Si){2|C<3>}	N[5](N[5]Ge[4,5]Si)(N[5]C[4,5]){1|N<3>,2|P<4>}	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1
542	863	955	0:SP2_SP2_SP3	N[5]	O	P[5]	4:4:1:	3:	3:3:3:3:	B[5,6]-4:P[5]-4:O-1:	N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5,6]C[5,6]C[6a]C[6])(P[5]C[6a]2C[5])(O)	O(N[5]B[5,6]P[5])	P[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)2(N[5]B[5,6]O)	N[5](B[5,6]C[5,6]C[6a]C[6])(P[5]C[6a]2C[5])(O){10|C<3>}	O(N[5]B[5,6]P[5])	P[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)2(N[5]B[5,6]O){2|C<4>,2|F<1>,9|C<3>}	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	119.9363	3.845	3	119.3250	3.063	6	119.3250	3.063	6
542	863	955	0:SP2_SP2_SP3	N[5]	O	P[5]	4:4:1:	3:	3:3:3:3:	B[5]-4:P[5]-4:O-1:	N[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O)	O(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O){1|Si<4>,1|C<4>,8|C<3>}	O(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){1|C<4>,4|H<1>,6|C<3>}	119.3410	0.000	1	120.7335	3.878	2	120.7335	3.878	2	119.9363	3.845	3	119.3250	3.063	6	119.3250	3.063	6
542	863	955	0:SP2_SP2_SP3	N[5]	O	P[5]	4:4:1:	3:	3:3:3:3:	B[5]-4:P[5]-4:O-1:	N[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O)	O(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O){1|Si<4>,1|C<4>,8|C<3>}	O(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){2|H<1>,3|C<4>,6|C<3>}	122.1260	0.000	1	120.7335	3.878	2	120.7335	3.878	2	119.9363	3.845	3	119.3250	3.063	6	119.3250	3.063	6
542	863	955	0:SP2_SP2_SP3	N[5]	O	P[5]	4:4:1:	3:	3:3:4:3:	B[5]-4:P[5]-4:O-1:	N[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O)	O(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O){1|C<4>,3|H<1>,8|C<3>}	O(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O){2|H<1>,4|C<4>,6|C<3>}	119.0220	0.000	1	119.0220	0.000	1	119.6000	0.668	2	119.6000	0.668	2	119.3250	3.063	6	119.3250	3.063	6
542	863	955	0:SP2_SP2_SP3	N[5]	O	P[5]	4:4:1:	3:	3:3:4:3:	B[5]-4:P[5]-4:O-1:	N[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O)	O(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O){1|Si<4>,3|H<1>,8|C<3>}	O(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O){1|Si<4>,1|H<1>,4|C<4>,6|C<3>}	120.1780	0.000	1	120.1780	0.000	1	119.6000	0.668	2	119.6000	0.668	2	119.3250	3.063	6	119.3250	3.063	6
542	863	955	0:SP2_SP2_SP3	N[5]	O	P[5]	4:4:1:	3:	4:3:3:3:	B[5]-4:P[5]-4:O-1:	N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O)	O(N[5]B[5]P[5])	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(O){3|H<1>,9|C<3>}	O(N[5]B[5]P[5])	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O){2|H<1>,4|C<4>,8|C<3>}	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	119.3250	3.063	6	119.3250	3.063	6
542	863	960	0:SP2_SP2_SP2	N[5]	O	N[5]	2:2:1:	3:	3:3:	N[5]-2:N[5]-2:O-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(O)	O(N[5]N[5]2)	N[5](C[5]N[5]C)(N[5]N[5]O)	N[5](N[5]C[5])(N[5]N[5])(O){2|C<4>}	O(N[5]N[5]2)	N[5](C[5]N[5]C)(N[5]N[5]O){1|C<4>}	122.4850	0.000	1	122.4850	0.000	1	122.2565	0.104	2	122.5888	0.185	4	122.1683	1.683	14	122.1683	1.683	14
542	863	960	0:SP2_SP2_SP2	N[5]	O	N[5]	2:2:1:	3:	3:3:	N[5]-2:N[5]-2:O-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(O)	O(N[5]N[5]2)	N[5](C[5]N[5]Cl)(N[5]N[5]O)	N[5](N[5]C[5])(N[5]N[5])(O){1|Cl<1>,1|C<3>}	O(N[5]N[5]2)	N[5](C[5]N[5]Cl)(N[5]N[5]O){1|C<3>}	122.0280	0.000	1	122.0280	0.000	1	122.2565	0.104	2	122.5888	0.185	4	122.1683	1.683	14	122.1683	1.683	14
542	863	960	0:SP2_SP2_SP2	N[5]	O	N[5]	2:2:1:	3:	3:3:	N[5]-2:N[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(O)	O(N[5]N[5]2)	N[5](N[5]C[5]C)(N[5]N[5]O)	N[5](N[5]C[5])(N[5]N[5])(O){2|C<4>}	O(N[5]N[5]2)	N[5](N[5]C[5]C)(N[5]N[5]O){1|C<4>}	122.8550	0.000	1	122.8550	0.000	1	122.9210	0.009	2	122.5888	0.185	4	122.1683	1.683	14	122.1683	1.683	14
542	863	960	0:SP2_SP2_SP2	N[5]	O	N[5]	2:2:1:	3:	3:3:	N[5]-2:N[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(O)	O(N[5]N[5]2)	N[5](N[5]C[6a]C[5])(N[5]N[5]O)	N[5](N[5]C[5])(N[5]N[5])(O){1|Cl<1>,1|C<3>}	O(N[5]N[5]2)	N[5](N[5]C[6a]C[5])(N[5]N[5]O){1|Cl<1>,2|C<3>}	122.9870	0.000	1	122.9870	0.000	1	122.9210	0.009	2	122.5888	0.185	4	122.1683	1.683	14	122.1683	1.683	14
542	863	960	0:SP2_SP2_SP2	N[5]	O	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:O-1:	N[5]-3:	N[5]-3:O[5]-2:	N[5](C[5]C[6a]C[5])(N[5]O[5])(O)	O(N[5]C[5]N[5])	N[5](N[5]C[5]O)(O[5]C[5])	N[5](C[5]C[6a]C[5])(N[5]O[5])(O){1|N<3>,2|C<3>}	O(N[5]C[5]N[5])	N[5](N[5]C[5]O)(O[5]C[5]){1|C<3>,1|N<3>}	119.4570	0.000	1	119.4570	0.000	1	119.4570	0.000	1	119.4570	0.000	1	122.1683	1.683	14	122.1683	1.683	14
542	863	960	0:SP2_SP2_SP2	N[5]	O	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	O(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|C<4>,1|H<1>,2|C<3>}	O(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	121.2623	0.981	3	121.9398	0.668	8	121.9398	0.668	8	121.9398	0.668	8	122.1683	1.683	14	122.1683	1.683	14
542	863	960	0:SP2_SP2_SP2	N[5]	O	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	O(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|H<1>,3|C<3>}	O(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	122.3462	0.371	5	121.9398	0.668	8	121.9398	0.668	8	121.9398	0.668	8	122.1683	1.683	14	122.1683	1.683	14
542	863	960	0:SP2_SP2_SP2	N[5]	O	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:O-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]CC)(N[5]C[5])(O)	O(N[5]C[5]N[5])	N[5](C[5]N[5]O)(N[5]C[5]O)	N[5](C[5]N[5]CC)(N[5]C[5])(O){1|O<1>}	O(N[5]C[5]N[5])	N[5](C[5]N[5]O)(N[5]C[5]O){2|C<4>}	125.0260	0.000	1	125.0260	0.000	1	125.0260	0.000	1	125.0260	0.000	1	122.1683	1.683	14	122.1683	1.683	14
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5,6a]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O)	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O){3|C<3>}	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	118.2390	0.431	2	118.2390	0.186	2	117.8318	0.392	17	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5,6a]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Br<1>,2|C<3>}	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	117.1192	0.553	4	117.7775	0.408	15	117.8318	0.392	17	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5,6a]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	117.6412	0.124	4	117.7775	0.408	15	117.8318	0.392	17	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5,6a]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	118.3672	0.379	6	117.7775	0.408	15	117.8318	0.392	17	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5,6a]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){3|C<3>}	O(N[5]C[5,6a]O[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	117.4170	0.000	1	117.7775	0.408	15	117.8318	0.392	17	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O){1|Br<1>,3|C<4>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|Br<1>,1|C<4>}	115.9160	0.000	1	115.9160	0.000	1	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	117.5530	0.000	1	117.2249	0.638	8	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	116.0940	0.607	2	117.2249	0.638	8	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	117.8035	0.489	2	117.2249	0.638	8	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<2>,2|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	117.2815	0.281	2	117.2249	0.638	8	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]2)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<3>,2|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	117.8880	0.000	1	117.2249	0.638	8	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]Br)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Br)(O[5]N[5])(O){1|Br<1>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|Br<1>}	117.4180	0.000	1	117.4205	0.000	2	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]Br)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Br)(O[5]N[5])(O){1|O<2>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|Br<1>,1|O<2>}	117.4230	0.000	1	117.4205	0.000	2	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<3>}	118.4120	0.000	1	116.9661	0.384	15	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>}	116.9457	0.478	12	116.9661	0.384	15	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]C)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	116.3660	0.231	2	116.9661	0.384	15	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]Cl)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Cl)(O[5]N[5])(O){1|O<2>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|O<2>}	117.8335	0.279	2	117.8335	0.078	2	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5]N)(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]N)(O[5]N[5])(O){1|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<2>}	116.5630	0.000	1	116.5630	0.000	1	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	117.5339	0.635	7	117.5303	0.431	12	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	117.6477	0.795	3	117.5303	0.431	12	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<3>,2|N<2>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	117.3420	0.973	2	117.5303	0.431	12	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|C<2>,2|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<3>}	116.2850	0.000	1	116.8334	0.367	7	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<3>}	116.5590	0.000	1	116.8334	0.367	7	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	117.4790	0.000	1	116.8334	0.367	7	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	116.8778	0.684	4	116.8334	0.367	7	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:2:	C[5]-3:O[5]-2:O-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(O[5]N[5])(O)	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]N[5])	N[5](C[5]C[6a]N[5])(O[5]N[5])(O){3|C<3>}	O(N[5]C[5]O[5])	O[5](N[5]C[5]O)(N[5]N[5]){2|C<3>}	115.4750	0.000	1	115.4750	0.000	1	117.1214	0.533	49	117.3044	0.588	66	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP2	N[5]	O	O[5]	3:2:1:	3:	3:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	O(N[5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)	N[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	O(N[5]C[5]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	117.2765	0.631	67	117.2765	0.631	67
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	2:3:1:	3:	4:3:	O[5]-2:C[5]-3:O-1:	N[5]-3:	C[5,5]-4:N[5]-3:	N[5](O[5]C[5,5])(C[5]C[5]C)(O)	O(N[5]C[5]O[5])	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]O)	N[5](O[5]C[5,5])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	O(N[5]C[5]O[5])	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.6125	0.162	2	113.6125	0.026	2	113.6125	0.026	2	113.6125	0.026	2	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5,5,6]-4:N[5]-3:	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(O)	O(N[5]C[5]O[5])	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(N[5]C[5]O)	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(O){1|O<2>,3|C<4>}	O(N[5]C[5]O[5])	O[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(N[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	113.6920	0.000	2	113.6920	0.000	2	113.6920	0.000	2	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	O(N[5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]O)	N[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|H<1>,3|C<3>}	O(N[5]C[5]O[5])	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]O){1|H<1>,1|O<1>,3|C<3>}	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5,6]-4:N[5]-3:	N[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	O(N[5]C[5]O[5])	O[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]O)	N[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	O(N[5]C[5]O[5])	O[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[5]CC)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	O(N[5]C[5]O[5])	O[5](C[5]C[5]CC)(N[5]C[5]O){1|H<1>,2|C<3>}	114.8350	0.000	1	114.4910	0.237	2	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[5]CC)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,3|C<3>}	O(N[5]C[5]O[5])	O[5](C[5]C[5]CC)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	114.1470	0.000	1	114.4910	0.237	2	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[5]CH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	O(N[5]C[5]O[5])	O[5](C[5]C[5]CH)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	113.4340	0.000	1	114.4052	0.586	4	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[5]CH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	O(N[5]C[5]O[5])	O[5](C[5]C[5]CH)(N[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	115.2750	0.000	1	114.4052	0.586	4	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[5]CH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	O(N[5]C[5]O[5])	O[5](C[5]C[5]CH)(N[5]C[5]O){1|H<1>,2|C<3>}	114.4560	0.232	2	114.4052	0.586	4	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[5]FH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|F<1>,2|H<1>}	O(N[5]C[5]O[5])	O[5](C[5]C[5]FH)(N[5]C[5]O){1|H<1>,2|C<3>}	113.9885	0.445	2	113.9885	0.198	2	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[5]HH)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	O(N[5]C[5]O[5])	O[5](C[5]C[5]HH)(N[5]C[5]O){1|C<3>,1|C<4>}	115.0770	0.000	1	115.0770	0.000	1	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[5]N[5]H)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|N<3>,3|H<1>}	O(N[5]C[5]O[5])	O[5](C[5]C[5]N[5]H)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	114.3480	0.000	1	114.3480	0.000	1	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	O(N[5]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	114.5378	0.278	4	114.4952	0.067	5	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	976	0:SP2_SP2_SP3	N[5]	O	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:O-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(O[5]C[5])(O)	O(N[5]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O)	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	O(N[5]C[5]O[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O){2|H<1>,3|C<3>}	114.3250	0.000	1	114.4952	0.067	5	114.4321	0.236	15	114.3534	0.284	19	114.2828	0.306	21	114.2828	0.306	21
542	863	997	0:SP2_SP2_SP3	N[5]	O	Se[5]	3:2:1:	3:	3:3:	C[5]-3:Se[5]-2:O-1:	N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(O)	O(N[5]Se[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(O){2|C<3>}	O(N[5]Se[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O){2|C<3>,2|H<1>}	118.8410	0.000	1	118.8410	0.000	1	118.8410	0.000	1	118.8410	0.000	1	118.8410	0.000	1	118.8410	0.000	1
542	874	960	0:SP2_SP2_SP3	N[5,6]	B[6]	N[5]	3:4:2:	3:3:3:2:	3:3:	C[5,6]-3:B[6]-4:N[5]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5])	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]O[5])	N[5,6](C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])(N[5]C[5]){7|C<3>}	B[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,7|C<3>}	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	127.8470	0.000	1	127.8470	0.000	1	127.8470	0.000	1	127.8470	0.000	1	125.6840	4.425	4	125.6840	4.425	4
542	874	960	0:SP2_SP2_SP3	N[5,6]	B[6]	N[5]	3:4:2:	3:4:3:3:	3:3:	C[5,6]-3:B[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5])	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2C[6])(N[5]C[5]){1|C<4>,2|H<1>,7|C<3>}	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|N<3>,4|C<4>,7|C<3>}	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5]){2|C<4>,5|C<3>}	127.0580	0.000	1	127.0580	0.000	1	127.0580	0.000	1	127.0580	0.000	1	125.6840	4.425	4	125.6840	4.425	4
542	874	960	0:SP2_SP2_SP3	N[5,6]	B[6]	N[5]	4:3:2:	3:3:3:3:	3:3:	B[6]-4:N[5,6]-3:N[5]-2:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5])	B[6](N[5,6]N[5,6]N[5])2(C[6a]C[6a]2)2	N[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]C[5])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	B[6](N[5,6]N[5,6]N[5])2(C[6a]C[6a]2)2{1|B<4>,4|F<1>,8|C<3>}	N[5](N[5,6]N[5,6]B[6])(C[5]C[5]C){1|B<4>,1|N<3>,3|C<3>}	123.9155	0.672	2	123.9155	0.452	2	123.9155	0.452	2	123.9155	0.452	2	125.6840	4.425	4	125.6840	4.425	4
542	880	885	0:SP2_SP-NON_SP3	N[5]	Si	Ga[5,6]	4:2:4:	3:4:4:4:	3:3:3:3:	Ga[5,6]-4:N[5]-2:Si-4:	N[5]-3:C-4:C-4:C-4:	N[6]-3:N[6]-3:N[5]-3:N[5]-3:	N[5](Ga[5,6]N[5]N[6]2)(N[5]N[5])(SiC3)	Si(N[5]Ga[5,6]N[5])(CH3)3	Ga[5,6](N[6]C[6a]C[6])2(N[5]N[5]Si)2	N[5](Ga[5,6]N[5]N[6]2)(N[5]N[5])(SiC3){1|Si<4>,4|C<3>}	Si(N[5]Ga[5,6]N[5])(CH3)3	Ga[5,6](N[6]C[6a]C[6])2(N[5]N[5]Si)2{2|C<4>,5|C<3>}	138.1485	3.286	2	138.1485	10.797	2	138.1485	10.797	2	138.1485	10.797	2	138.1485	10.797	2	138.1485	10.797	2
542	880	939	0:SP2_SP2_SP3	N[5]	Si	Ge[5,5]	3:4:4:	3:4:4:4:	4:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	Ge[5,5,6]-4:N[5]-3:N[5]-3:	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3)	Si(N[5]Ge[5,5]P[5])(CH3)3	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3){1|Si<4>,3|P<4>,5|C<3>}	Si(N[5]Ge[5,5]P[5])(CH3)3	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2{1|P<3>,1|P<4>,7|C<3>}	109.7560	0.000	1	109.7560	0.000	1	111.0055	3.123	2	111.0105	1.157	4	111.0105	1.157	4	111.0105	1.157	4
542	880	939	0:SP2_SP2_SP3	N[5]	Si	Ge[5,5]	3:4:4:	3:4:4:4:	4:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	Ge[5,5,6]-4:N[5]-3:N[5]-3:	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3)	Si(N[5]Ge[5,5]P[5])(CH3)3	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	Si(N[5]Ge[5,5]P[5])(CH3)3	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2{1|P<3>,1|P<4>,7|C<3>}	112.2550	0.000	1	112.2550	0.000	1	111.0055	3.123	2	111.0105	1.157	4	111.0105	1.157	4	111.0105	1.157	4
542	880	939	0:SP2_SP2_SP3	N[5]	Si	Ge[5,5]	3:4:4:	3:4:4:4:	4:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	Ge[5,5]-4:N[5]-3:N[5]-3:	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3)	Si(N[5]Ge[5,5]P[5])(CH3)3	Ge[5,5](Ge[5,5]C[5]2P)(N[5]P[5]Si)2	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	Si(N[5]Ge[5,5]P[5])(CH3)3	Ge[5,5](Ge[5,5]C[5]2P)(N[5]P[5]Si)2{2|P<3>,4|C<3>}	111.0155	0.590	2	111.0155	0.349	2	111.0155	0.349	2	111.0105	1.157	4	111.0105	1.157	4	111.0105	1.157	4
542	880	955	0:SP2_SP3_SP3	N[5]	Si	P[5]	3:4:4:	3:4:4:4:	3:3:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-3:N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3)	Si(N[5]Ge[5,5]P[5])(CH3)3	P[5](C[5,6]Ge[5,5,6]P[6])(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3){1|Si<4>,3|P<4>,5|C<3>}	Si(N[5]Ge[5,5]P[5])(CH3)3	P[5](C[5,6]Ge[5,5,6]P[6])(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2{1|Ge<2>,1|N<3>,1|P<4>,4|H<1>,7|C<3>}	121.3450	0.000	1	121.3450	0.000	1	121.3450	0.000	1	121.9915	0.219	4	124.1558	23.585	5	124.1558	23.585	5
542	880	955	0:SP2_SP3_SP3	N[5]	Si	P[5]	3:4:4:	3:4:4:4:	3:3:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3)	Si(N[5]Ge[5,5]P[5])(CH3)3	P[5](C[5]Ge[5,5,6]P)(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	Si(N[5]Ge[5,5]P[5])(CH3)3	P[5](C[5]Ge[5,5,6]P)(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2{1|N<3>,1|P<4>,4|H<1>,5|C<3>}	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	121.9915	0.219	4	124.1558	23.585	5	124.1558	23.585	5
542	880	955	0:SP2_SP3_SP3	N[5]	Si	P[5]	3:4:4:	3:4:4:4:	3:3:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3)	Si(N[5]Ge[5,5]P[5])(CH3)3	P[5](N[5]Ge[5,5]Si)(C[5]Ge[5,5]P)(C[6a]C[6a]2)2	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	Si(N[5]Ge[5,5]P[5])(CH3)3	P[5](N[5]Ge[5,5]Si)(C[5]Ge[5,5]P)(C[6a]C[6a]2)2{1|N<3>,1|P<4>,4|H<1>,5|C<3>}	122.1930	0.315	2	122.1930	0.099	2	122.1930	0.099	2	121.9915	0.219	4	124.1558	23.585	5	124.1558	23.585	5
542	880	955	0:SP2_SP3_SP3	N[5]	Si	P[5]	4:4:4:	3:4:4:4:	4:3:4:4:	B[5]-4:P[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5](B[5]C[6a]2C[5])(P[5]C[5]CC)(SiC3)	Si(N[5]B[5]P[5])(CH3)3	P[5](C[5]C[5]CH)(N[5]B[5]Si)(CC3)2	N[5](B[5]C[6a]2C[5])(P[5]C[5]CC)(SiC3){1|C<4>,3|H<1>,4|C<3>}	Si(N[5]B[5]P[5])(CH3)3	P[5](C[5]C[5]CH)(N[5]B[5]Si)(CC3)2{2|C<3>,2|H<1>}	132.8130	0.000	1	132.8130	0.000	1	132.8130	0.000	1	132.8130	0.000	1	124.1558	23.585	5	124.1558	23.585	5
542	880	960	0:SP2_SP2_SP3	N[5]	Si	N[5]	3:2:4:	3:4:4:4:	3:2:	Ge[4,5]-3:N[5]-2:Si-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-2:	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3)	Si(N[5]Ge[4,5]N[5])(CH3)3	N[5](N[5]Ge[4,5]Si)(N[5]C[4,5])	N[5](Ge[4,5]C[4,5]N[4])(N[5]N[5])(SiC3){1|Si<4>,2|P<4>}	Si(N[5]Ge[4,5]N[5])(CH3)3	N[5](N[5]Ge[4,5]Si)(N[5]C[4,5]){1|N<3>,2|P<4>}	113.6080	0.000	1	113.6080	0.000	1	113.6080	0.000	1	113.6080	0.000	1	111.2646	2.808	9	111.2646	2.808	9
542	880	960	0:SP2_SP2_SP3	N[5]	Si	N[5]	3:4:2:	3:3:4:4:	3:3:	P[5]-3:Si-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[5]-3:	N[5](P[5]C[5]Cr)(SiN[5]CC)(N[5]C[5])	Si(N[5]N[5]P[5])2(CH3)2	N[5](N[5]P[5]Si)(C[5]C[5]C)	N[5](P[5]C[5]Cr)(SiN[5]CC)(N[5]C[5]){2|C<4>}	Si(N[5]N[5]P[5])2(CH3)2	N[5](N[5]P[5]Si)(C[5]C[5]C){1|Cr<6>,1|C<4>}	110.7965	1.384	2	110.7965	1.915	2	110.6610	1.367	6	110.6610	1.367	6	111.2646	2.808	9	111.2646	2.808	9
542	880	960	0:SP2_SP2_SP3	N[5]	Si	N[5]	3:4:2:	3:3:4:4:	3:3:	P[5]-3:Si-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[5]-3:	N[5](P[5]C[5]Mo)(SiN[5]CC)(N[5]C[5])	Si(N[5]N[5]P[5])2(CH3)2	N[5](N[5]P[5]Si)(C[5]C[5]C)	N[5](P[5]C[5]Mo)(SiN[5]CC)(N[5]C[5]){2|C<4>}	Si(N[5]N[5]P[5])2(CH3)2	N[5](N[5]P[5]Si)(C[5]C[5]C){1|Mo<6>,1|C<4>}	110.2525	1.300	2	110.2525	1.691	2	110.6610	1.367	6	110.6610	1.367	6	111.2646	2.808	9	111.2646	2.808	9
542	880	960	0:SP2_SP2_SP3	N[5]	Si	N[5]	3:4:2:	3:3:4:4:	3:3:	P[5]-3:Si-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[5]-3:	N[5](P[5]C[5]W)(SiN[5]CC)(N[5]C[5])	Si(N[5]N[5]P[5])2(CH3)2	N[5](N[5]P[5]Si)(C[5]C[5]C)	N[5](P[5]C[5]W)(SiN[5]CC)(N[5]C[5]){2|C<4>}	Si(N[5]N[5]P[5])2(CH3)2	N[5](N[5]P[5]Si)(C[5]C[5]C){1|C<4>,1|W<6>}	110.9340	1.646	2	110.9340	2.710	2	110.6610	1.367	6	110.6610	1.367	6	111.2646	2.808	9	111.2646	2.808	9
542	880	960	0:SP2_SP2_SP3	N[5]	Si	N[5]	4:2:4:	3:4:4:4:	3:2:	Ga[5,6]-4:N[5]-2:Si-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-2:	N[5](Ga[5,6]N[5]N[6]2)(N[5]N[5])(SiC3)	Si(N[5]Ga[5,6]N[5])(CH3)3	N[5](N[5]Ga[5,6]Si)(N[5]N[5])	N[5](Ga[5,6]N[5]N[6]2)(N[5]N[5])(SiC3){1|Si<4>,4|C<3>}	Si(N[5]Ga[5,6]N[5])(CH3)3	N[5](N[5]Ga[5,6]Si)(N[5]N[5]){1|Si<4>,2|N<3>}	111.9035	2.671	2	111.9035	7.133	2	111.9035	7.133	2	111.9035	7.133	2	111.2646	2.808	9	111.2646	2.808	9
542	880	987	0:SP2_SP-NON_SP3	N[5]	Si	P[5]	2:2:4:	3:4:4:4:	3:2:	P[5]-2:P[5]-2:Si-4:	N[5]-3:Si-4:Si-4:Si-4:	N[5]-3:N[5]-2:	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	Si(N[5]P[5]2)(SiC3)3	P[5](N[5]P[5]Si)(N[5]C[5])	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	Si(N[5]P[5]2)(SiC3)3	P[5](N[5]P[5]Si)(N[5]C[5]){1|N<3>}	123.7350	0.000	1	123.7350	0.000	1	123.7350	0.000	1	123.7350	0.000	1	122.7793	2.292	3	122.7793	2.292	3
542	880	987	0:SP2_SP-NON_SP3	N[5]	Si	P[5]	2:2:4:	3:4:4:4:	3:3:	P[5]-2:P[5]-2:Si-4:	N[5]-3:Si-4:Si-4:Si-4:	N[5]-3:C[5]-3:	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	Si(N[5]P[5]2)(SiC3)3	P[5](N[5]P[5]Si)(C[5]N[5]N)	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	Si(N[5]P[5]2)(SiC3)3	P[5](N[5]P[5]Si)(C[5]N[5]N)	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	122.7793	2.292	3	122.7793	2.292	3
542	880	987	0:SP2_SP-NON_SP3	N[5]	Si	P[5]	3:4:2:	3:3:4:4:	3:3:	N[5]-3:Si-4:P[5]-2:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[5]-3:	N[5](N[5]C[5]Co)(SiN[5]CC)(P[5]C[5])	Si(N[5]N[5]P[5])2(CH3)2	P[5](N[5]N[5]Si)(C[5]C[5]C)	N[5](N[5]C[5]Co)(SiN[5]CC)(P[5]C[5]){2|C<4>}	Si(N[5]N[5]P[5])2(CH3)2	P[5](N[5]N[5]Si)(C[5]C[5]C){1|Co<4>,1|C<4>}	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	122.7793	2.292	3	122.7793	2.292	3
542	880	987	0:SP3_SP-NON_SP3	N[5]	Si	P[5]	2:2:4:	3:4:4:4:	3:2:	P[5]-2:P[5]-2:Si-4:	N[5]-3:Si-4:Si-4:Si-4:	N[5]-3:N[5]-2:	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	Si(N[5]P[5]2)(SiC3)3	P[5](N[5]P[5]Si)(N[5]C[5])	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	Si(N[5]P[5]2)(SiC3)3	P[5](N[5]P[5]Si)(N[5]C[5]){1|N<3>}	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	122.1297	0.111	3	122.1297	0.111	3
542	880	987	0:SP3_SP-NON_SP3	N[5]	Si	P[5]	2:2:4:	3:4:4:4:	3:3:	P[5]-2:P[5]-2:Si-4:	N[5]-3:Si-4:Si-4:Si-4:	N[5]-3:C[5]-3:	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	Si(N[5]P[5]2)(SiC3)3	P[5](N[5]P[5]Si)(C[5]N[5]N)	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	Si(N[5]P[5]2)(SiC3)3	P[5](N[5]P[5]Si)(C[5]N[5]N)	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	122.1297	0.111	3	122.1297	0.111	3
542	880	987	0:SP3_SP-NON_SP3	N[5]	Si	P[5]	3:4:2:	3:3:4:4:	3:3:	N[5]-3:Si-4:P[5]-2:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[5]-3:	N[5](N[5]C[5]Co)(SiN[5]CC)(P[5]C[5])	Si(N[5]N[5]P[5])2(CH3)2	P[5](N[5]N[5]Si)(C[5]C[5]C)	N[5](N[5]C[5]Co)(SiN[5]CC)(P[5]C[5]){2|C<4>}	Si(N[5]N[5]P[5])2(CH3)2	P[5](N[5]N[5]Si)(C[5]C[5]C){1|Co<4>,1|C<4>}	122.3910	0.000	1	122.3910	0.000	1	122.3910	0.000	1	122.3910	0.000	1	122.1297	0.111	3	122.1297	0.111	3
542	880	996	0:SP2_SP3_SP3	N[5]	Si	Si[4,5]	4:4:4:	3:4:4:4:	3:3:3:3:	Si[4,5]-4:Si[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N[4]-3:N[4]-3:	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3)	Si(N[5]Si[4,5]Si[5])(CH3)3	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3){1|C<3>,4|C<4>}	Si(N[5]Si[4,5]Si[5])(CH3)3	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2{1|C<3>,6|C<4>}	131.3910	0.000	1	131.3910	0.000	1	131.3910	0.000	1	131.3910	0.000	1	131.3910	0.000	1	131.3910	0.000	1
542	880	996	0:SP3_SP3_SP3	N[5]	Si	Si[4,5]	4:4:4:	3:4:4:4:	3:3:3:3:	Si[4,5]-4:Si[5]-4:Si-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N[4]-3:N[4]-3:	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3)	Si(N[5]Si[4,5]Si[5])(CH3)3	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3){1|C<3>,4|C<4>}	Si(N[5]Si[4,5]Si[5])(CH3)3	Si[4,5](C[5]C[3x6]P[5])(N[5]Si[5]Si)(N[4]C[4]C)2{1|C<3>,6|C<4>}	130.8580	0.000	1	130.8580	0.000	1	130.8580	0.000	1	130.8580	0.000	1	130.8580	0.000	1	130.8580	0.000	1
542	885	930	0:SP2_SP-NON_SP2	N[5]	Ga[5,5]	C	4:2:3:	3:3:2:2:	3:3:4:	Ga[5,5]-4:N[5]-2:C-3:	N[5]-3:N[5]-3:S[5]-2:S[5]-2:	C[6a]-3:N[5]-3:C-4:	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C)	Ga[5,5](N[5]N[5]C)2(S[5]C[5])2	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,2|C<3>}	Ga[5,5](N[5]N[5]C)2(S[5]C[5])2{2|N<3>}	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	120.0300	0.000	1	120.0300	0.000	1	120.0300	0.000	1	120.0300	0.000	1	120.0300	0.000	1	119.9470	0.014	2
542	885	930	0:SP2_SP-NON_SP2	N[5]	Ga[5]	C	3:4:3:	3:2:4:4:	3:4:3:	C[5,6a]-3:Ga[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C-4:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC)	Ga[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC){1|H<1>,2|C<3>}	Ga[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	119.9470	0.014	2
542	885	960	5:SP2_SP-NON_SP2	N[5]	Ga[5,5]	N[5]	4:2:3:	3:3:2:2:	3:3:	Ga[5,5]-4:N[5]-2:C-3:	N[5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5]-3:C[5]-3:	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C)	Ga[5,5](N[5]N[5]C)2(S[5]C[5])2	N[5](N[5]Ga[5,5]C)(C[5]S[5]N)	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,2|C<3>}	Ga[5,5](N[5]N[5]C)2(S[5]C[5])2{2|N<3>}	N[5](N[5]Ga[5,5]C)(C[5]S[5]N){1|N<3>,1|S<2>}	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	113.3690	38.846	3
542	885	960	5:SP2_SP-NON_SP2	N[5]	Ga[5,6]	N[5]	4:2:4:	3:3:3:3:	3:2:	Ga[5,6]-4:N[5]-2:Si-4:	N[6]-3:N[6]-3:N[5]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](Ga[5,6]N[5]N[6]2)(N[5]N[5])(SiC3)	Ga[5,6](N[6]C[6a]C[6])2(N[5]N[5]Si)2	N[5](N[5]Ga[5,6]Si)(N[5]N[5])	N[5](Ga[5,6]N[5]N[6]2)(N[5]N[5])(SiC3){1|Si<4>,4|C<3>}	Ga[5,6](N[6]C[6a]C[6])2(N[5]N[5]Si)2{2|C<4>,5|C<3>}	N[5](N[5]Ga[5,6]Si)(N[5]N[5]){1|Si<4>,2|N<3>}	109.7780	0.566	2	109.7780	0.320	2	109.7780	0.320	2	109.7780	0.320	2	109.7780	0.320	2	113.3690	38.846	3
542	885	983	0:SP2_SP-NON_SP1	N[5]	Ga[5,5]	C	4:3:2:	3:3:3:3:	3:4:	Ga[5,5]-4:C[5]-3:C-2:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CC)	Ga[5,5](N[5]C[5]C)4	C(N[5]Ga[5,5]C[5])(CCHH)	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CC){3|C<3>,3|C<4>}	Ga[5,5](N[5]C[5]C)4{4|C<3>}	C(N[5]Ga[5,5]C[5])(CCHH)	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1
542	885	999	5:SP3_SP-NON_SP3	N[5,5]	Ga[5,5,6]	N[5,5,6,6]	4:4:4:	3:4:3:4:	4:4:3:1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	O[5,6,6]-3:N[5,5,6]-4:N[5,5]-3:C-4:	Ga[5,5,6,6]-4:Ga[5,3x6]-4:N[5,5]-3:H-1:	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)	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3)	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H)	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>}	Ga[5,5,6](O[5,6,6]Ga[5,3x6]Ga[5,6,6])(N[5,5,6]Ga[5,5,6,6]N[5]H)(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<4>,3|O<3>,4|C<4>}	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6]C)(Ga[5,3x6]O[5,6,6]2C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	106.2615	0.260	2	109.7755	16.833	4
542	885	999	5:SP3_SP-NON_SP3	N[5,5]	Ga[5,5,6]	N[5,5,6,6]	4:4:4:	4:3:3:4:	4:4:3:1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	N[5,5,6]-4:O[5,6]-3:N[5,5]-3:C-4:	Ga[5,5,6,6]-4:Ga[5,6,6]-4:N[5,5]-3:H-1:	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)	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3)	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H)	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>}	Ga[5,5,6](N[5,5,6]Ga[5,5,6,6]N[5]H)(O[5,6]Ga[5,6,6]Ga[5])(N[5,5]N[5,5,6,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,3|O<3>,4|C<4>}	N[5,5,6,6](Ga[5,5,6,6]N[5,5,6]O[5,6,6]C)(Ga[5,6,6]O[5,6,6]O[5,6]C)(N[5,5]Ga[5,5,6]C)(H){4|Ga<4>,1|C<4>,1|H<1>,1|N<3>}	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	106.2615	0.260	2	109.7755	16.833	4
542	885	999	5:SP3_SP-NON_SP3	N[5]	Ga[5,6]	N[5,5,6]	4:4:4:	3:3:3:4:	4:4:3:1:	N[5,5,6]-4:Ga[5,6]-4:C-4:	O[5,6,6]-3:O[5,6]-3:N[5]-3:C-4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	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)	Ga[5,6](O[5,6,6]Ga[5,5,6,6]Ga[5,3x6])(O[5,6]Ga[5,5,6,6]Ga[5])(N[5]N[5,5,6]C)(CH3)	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H)	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>}	Ga[5,6](O[5,6,6]Ga[5,5,6,6]Ga[5,3x6])(O[5,6]Ga[5,5,6,6]Ga[5])(N[5]N[5,5,6]C)(CH3){1|Ga<4>,1|H<1>,1|N<3>,2|O<3>,3|N<4>,4|C<4>}	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6,6]C)(Ga[5,5,6]N[5,5]O[5,6]C)(N[5]Ga[5,6]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	109.7755	16.833	4
542	885	999	5:SP3_SP-NON_SP3	N[5]	Ga[5]	N[5,5,6]	4:4:4:	3:3:3:4:	4:4:3:1:	N[5,5,6]-4:Ga[5]-4:C-4:	O[5,6]-3:O[5,6]-3:N[5]-3:C-4:	Ga[5,5,6,6]-4:Ga[5,5,6]-4:N[5]-3:H-1:	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3)	Ga[5](O[5,6]Ga[5,5,6,6]Ga[5,6])(O[5,6]Ga[5,5,6]Ga[5,6,6])(N[5]N[5,5,6]C)(CH3)	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H)	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>}	Ga[5](O[5,6]Ga[5,5,6,6]Ga[5,6])(O[5,6]Ga[5,5,6]Ga[5,6,6])(N[5]N[5,5,6]C)(CH3){1|Ga<4>,1|H<1>,2|N<3>,2|O<3>,3|N<4>,4|C<4>}	N[5,5,6](Ga[5,5,6,6]N[5,5,6,6]O[5,6]C)(Ga[5,5,6]O[5,6,6]N[5,5]C)(N[5]Ga[5]C)(H){3|Ga<4>,1|H<1>,1|O<3>,2|C<4>}	113.9400	0.000	1	113.9400	0.000	1	113.9400	0.000	1	113.9400	0.000	1	113.9400	0.000	1	109.7755	16.833	4
542	891	891	5:SP2_SP2_SP2	N[5]	S[5]	S[5]	2:2:4:	3:3:	3:3:	S[5]-2:S[5]-2:S-4:	C[5,6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](S[5]C[5,6a])2(SC[6a]OO)	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S)	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S)	N[5](S[5]C[5,6a])2(SC[6a]OO){2|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S){1|C<3>,1|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S){1|C<3>,1|N<2>}	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1
542	891	891	5:SP3_SP2_SP2	N[5]	S[5]	S[5]	2:2:4:	3:3:	3:3:	S[5]-2:S[5]-2:S-4:	C[5,6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](S[5]C[5,6a])2(SC[6a]OO)	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S)	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S)	N[5](S[5]C[5,6a])2(SC[6a]OO){2|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S){1|C<3>,1|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S){1|C<3>,1|N<2>}	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1
542	891	930	0:SP2_SP2_SP2	N[5]	S[5]	C	3:2:3:	3:3:	3:2:1:	N[5]-3:S[5]-2:C-3:	C[5]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](N[5]C[5,6]C)(S[5]C[5])(COO)	S[5](C[5]C[5,6]N)(N[5]N[5]C)	C(N[5]N[5]S[5])(OC)(O)	N[5](N[5]C[5,6]C)(S[5]C[5])(COO){1|C<3>,1|C<4>,1|N<2>}	S[5](C[5]C[5,6]N)(N[5]N[5]C){1|C<4>,2|C<3>}	C(N[5]N[5]S[5])(OC)(O)	118.2940	0.000	1	118.2940	0.000	1	118.2940	0.000	1	118.2940	0.000	1	118.2940	0.000	1	118.2940	0.000	1
542	891	930	0:SP3_SP2_SP2	N[5]	S[5]	C	3:2:3:	3:3:	3:2:1:	N[5]-3:S[5]-2:C-3:	C[5]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](N[5]C[5,6]C)(S[5]C[5])(COO)	S[5](C[5]C[5,6]N)(N[5]N[5]C)	C(N[5]N[5]S[5])(OC)(O)	N[5](N[5]C[5,6]C)(S[5]C[5])(COO){1|C<3>,1|C<4>,1|N<2>}	S[5](C[5]C[5,6]N)(N[5]N[5]C){1|C<4>,2|C<3>}	C(N[5]N[5]S[5])(OC)(O)	123.0750	0.000	1	123.0750	0.000	1	123.0750	0.000	1	123.0750	0.000	1	123.0750	0.000	1	123.0750	0.000	1
542	891	941	0:SP2_SP2_SP2	N[5]	S[5]	N	3:2:2:	3:3:	3:4:	C[5]-3:S[5]-2:N-2:	C[5]-3:N[5]-3:	N[5]-3:S-4:	N[5](C[5]C[6a]C[5])(S[5]C[5])(NS)	S[5](C[5]C[6a]C[5])(N[5]C[5]N)	N(N[5]C[5]S[5])(SC[6a]OO)	N[5](C[5]C[6a]C[5])(S[5]C[5])(NS){1|H<1>,3|C<3>}	S[5](C[5]C[6a]C[5])(N[5]C[5]N){1|H<1>,3|C<3>}	N(N[5]C[5]S[5])(SC[6a]OO)	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1
542	891	951	0:SP2_SP-NON_SP2	N[5]	S[5]	H	3:2:1:	3:3:	3:	C[5]-3:S[5]-2:H-1:	C[5]-3:N[5]-3:	N[5]-3:	N[5](C[5]N[5]N)(S[5]C[5])(H)	S[5](C[5]N[5]N)(N[5]C[5]H)	H(N[5]C[5]S[5])	N[5](C[5]N[5]N)(S[5]C[5])(H){1|N<3>}	S[5](C[5]N[5]N)(N[5]C[5]H){1|N<3>}	H(N[5]C[5]S[5])	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1
542	891	951	0:SP2_SP-NON_SP3	N[5]	S[5]	H	3:2:1:	3:3:	3:	C[5,6a]-3:S[5]-2:H-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	S[5](N[5]C[5,6a]H)2	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|C<2>,1|H<1>,2|C<3>}	S[5](N[5]C[5,6a]H)2{2|C<3>}	H(N[5]C[5,6a]S[5])	126.9940	0.000	1	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3
542	891	951	0:SP2_SP-NON_SP3	N[5]	S[5]	H	3:2:1:	3:3:	3:	C[5,6a]-3:S[5]-2:H-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	S[5](N[5]C[5,6a]H)2	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	S[5](N[5]C[5,6a]H)2{2|C<3>}	H(N[5]C[5,6a]S[5])	126.4050	0.000	1	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3
542	891	951	0:SP2_SP-NON_SP3	N[5]	S[5]	H	3:2:1:	3:3:	3:	C[5,6a]-3:S[5]-2:H-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	S[5](N[5]C[5,6a]H)2	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){2|C<3>,2|H<1>}	S[5](N[5]C[5,6a]H)2{2|C<3>}	H(N[5]C[5,6a]S[5])	126.7730	0.000	1	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3	126.7240	0.089	3
542	891	952	0:SP2_SP2_SP3	N[5]	S[5]	S	2:2:4:	3:3:	3:3:1:1:	S[5]-2:S[5]-2:S-4:	C[5,6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a])2(SC[6a]OO)	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S)	S(C[6a]C[6a]2)(N[5]S[5]2)(O)2	N[5](S[5]C[5,6a])2(SC[6a]OO){2|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S){1|C<3>,1|N<2>}	S(C[6a]C[6a]2)(N[5]S[5]2)(O)2	111.8150	1.286	2	111.8150	1.653	2	111.8150	1.653	2	111.8150	1.653	2	112.7848	1.806	4	112.7848	1.806	4
542	891	952	0:SP2_SP2_SP3	N[5]	S[5]	S	4:2:4:	3:3:	3:3:1:1:	C[5]-4:S[5]-2:S-4:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a])(SC[6a]OO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)	S(N[5]C[5]S[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a])(SC[6a]OO){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S){1|C<4>,2|C<3>,2|H<1>}	S(N[5]C[5]S[5])(C[6a]C[6a]2)(O)2	113.7890	0.000	1	113.7890	0.000	1	113.7545	0.002	2	113.7545	0.002	2	112.7848	1.806	4	112.7848	1.806	4
542	891	952	0:SP2_SP2_SP3	N[5]	S[5]	S	4:2:4:	3:3:	3:3:1:1:	C[5]-4:S[5]-2:S-4:	C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(SC[6a]OO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)	S(N[5]C[5]S[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(SC[6a]OO){4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S){2|H<1>,3|C<3>}	S(N[5]C[5]S[5])(C[6a]C[6a]2)(O)2	113.7200	0.000	1	113.7200	0.000	1	113.7545	0.002	2	113.7545	0.002	2	112.7848	1.806	4	112.7848	1.806	4
542	891	952	0:SP3_SP2_SP3	N[5]	S[5]	S	2:2:4:	3:3:	3:3:1:1:	S[5]-2:S[5]-2:S-4:	C[5,6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a])2(SC[6a]OO)	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S)	S(C[6a]C[6a]2)(N[5]S[5]2)(O)2	N[5](S[5]C[5,6a])2(SC[6a]OO){2|N<2>}	S[5](C[5,6a]C[5,6a]N[6a])(N[5]S[5]S){1|C<3>,1|N<2>}	S(C[6a]C[6a]2)(N[5]S[5]2)(O)2	114.9035	0.385	2	114.9035	0.149	2	114.9035	0.149	2	114.9035	0.149	2	114.9035	0.149	2	114.9035	0.149	2
542	891	960	5:SP2_SP2_SP2	N[5]	S[5]	N[5]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	N[5]-3:C[5]-3:	C[5]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	S[5](N[5]C[6a]N[5])(C[5]C[5]2)	N[5](C[5]C[6a]C[5])(N[5]C[6a]S[5])	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|H<1>,4|C<3>}	S[5](N[5]C[6a]N[5])(C[5]C[5]2){5|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]S[5]){5|C<3>}	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1
542	891	960	5:SP2_SP2_SP3	N[5]	S[5]	N[5]	3:2:2:	4:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5,6]-4:N[5]-3:	C[5,6]-3:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5])	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]S[5])	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	S[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]N[5]){2|O<2>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]S[5]){1|C<4>,1|O<2>,4|C<3>}	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1
542	893	955	0:SP2_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:1:	3:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OH)	O(N[5]B[5]P[5])(H)	P[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)2(N[5]B[5]O)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OH){10|C<3>}	O(N[5]B[5]P[5])(H)	P[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)2(N[5]B[5]O){6|C<4>,7|C<3>}	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	116.4088	0.239	6	116.4088	0.239	6
542	893	955	0:SP2_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:1:	4:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]C[5,5,6]C[6a]2)(P[5]C[5,5,6]C[6a]2)(OH)	O(N[5]B[5]P[5])(H)	P[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)2(N[5]B[5]O)	N[5](B[5]C[5,5,6]C[6a]2)(P[5]C[5,5,6]C[6a]2)(OH){2|C<4>,2|H<1>,8|C<3>}	O(N[5]B[5]P[5])(H)	P[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)2(N[5]B[5]O){2|H<1>,6|C<3>,7|C<4>}	117.1450	0.000	1	117.1450	0.000	1	117.1450	0.000	1	116.5775	0.644	2	116.4088	0.239	6	116.4088	0.239	6
542	893	955	0:SP2_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:1:	4:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH)	O(N[5]B[5]P[5])(H)	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH){3|H<1>,9|C<3>}	O(N[5]B[5]P[5])(H)	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O){2|H<1>,4|C<4>,8|C<3>}	116.0100	0.000	1	116.0100	0.000	1	116.0100	0.000	1	116.5775	0.644	2	116.4088	0.239	6	116.4088	0.239	6
542	893	955	0:SP2_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:4:	3:3:4:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OC)	O(N[5]B[5]P[5])(CC[6a]HH)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OC){4|H<1>,8|C<3>}	O(N[5]B[5]P[5])(CC[6a]HH)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O){2|H<1>,4|C<4>,6|C<3>}	116.0830	0.000	1	116.0830	0.000	1	116.0830	0.000	1	116.0830	0.000	1	116.4088	0.239	6	116.4088	0.239	6
542	893	955	0:SP2_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:4:	4:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OC)	O(N[5]B[5]P[5])(CC[6a]HH)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OC){2|C<4>,2|H<1>,8|C<3>}	O(N[5]B[5]P[5])(CC[6a]HH)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O){3|H<1>,6|C<3>,6|C<4>}	116.6395	0.238	2	116.6395	0.057	2	116.6395	0.057	2	116.6395	0.057	2	116.4088	0.239	6	116.4088	0.239	6
542	893	955	0:SP3_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:1:	3:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]C[5,6a]C[6a]2)(P[5]C[5,6a]C[6a]2)(OH)	O(N[5]B[5]P[5])(H)	P[5](C[5,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)2(N[5]B[5]O)	N[5](B[5]C[5,6a]C[6a]2)(P[5]C[5,6a]C[6a]2)(OH){10|C<3>}	O(N[5]B[5]P[5])(H)	P[5](C[5,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)2(N[5]B[5]O){5|C<4>,8|C<3>}	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	115.2127	19.141	3	116.2414	8.249	7	116.2414	8.249	7
542	893	955	0:SP3_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:1:	3:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH)	O(N[5]B[5]P[5])(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH){1|Si<4>,1|C<4>,8|C<3>}	O(N[5]B[5]P[5])(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){1|C<4>,4|H<1>,6|C<3>}	111.2160	0.000	1	112.8755	5.508	2	112.8755	5.508	2	115.2127	19.141	3	116.2414	8.249	7	116.2414	8.249	7
542	893	955	0:SP3_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:1:	3:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH)	O(N[5]B[5]P[5])(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH){1|Si<4>,1|C<4>,8|C<3>}	O(N[5]B[5]P[5])(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){2|H<1>,3|C<4>,6|C<3>}	114.5350	0.000	1	112.8755	5.508	2	112.8755	5.508	2	115.2127	19.141	3	116.2414	8.249	7	116.2414	8.249	7
542	893	955	0:SP3_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:1:	3:3:4:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH)	O(N[5]B[5]P[5])(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH){1|Si<4>,3|H<1>,8|C<3>}	O(N[5]B[5]P[5])(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O){1|Si<4>,1|H<1>,4|C<4>,6|C<3>}	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	116.2414	8.249	7	116.2414	8.249	7
542	893	955	0:SP3_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:1:	4:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OH)	O(N[5]B[5]P[5])(H)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OH){2|C<4>,2|H<1>,8|C<3>}	O(N[5]B[5]P[5])(H)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O){3|H<1>,6|C<3>,6|C<4>}	116.9500	0.000	1	116.9500	0.000	1	116.9500	0.000	1	116.9500	0.000	1	116.2414	8.249	7	116.2414	8.249	7
542	893	955	0:SP3_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:4:	3:3:4:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OC)	O(N[5]B[5]P[5])(CC[6a]HH)	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OC){1|C<4>,3|H<1>,8|C<3>}	O(N[5]B[5]P[5])(CC[6a]HH)	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O){2|H<1>,4|C<4>,6|C<3>}	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	116.2414	8.249	7	116.2414	8.249	7
542	893	955	0:SP3_SP3_SP3	N[5]	O	P[5]	4:4:2:	3:4:	4:3:3:3:	B[5]-4:P[5]-4:O-2:	N[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OC)	O(N[5]B[5]P[5])(CC[6a]CH)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OC){2|C<4>,2|H<1>,8|C<3>}	O(N[5]B[5]P[5])(CC[6a]CH)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O){3|H<1>,6|C<3>,6|C<4>}	117.8250	0.000	1	117.8250	0.000	1	117.8250	0.000	1	117.8250	0.000	1	116.2414	8.249	7	116.2414	8.249	7
542	893	959	0:SP3_SP3_SP3	N[5]	O	S[5]	4:4:2:	3:1:	3:3:1:1:	S[5]-4:S[5]-4:O-2:	N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)2(OH)	O(N[5]S[5]2)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]O)(O)2	N[5](S[5]C[5,6a]OO)2(OH){2|C<3>}	O(N[5]S[5]2)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]O)(O)2{1|H<1>,2|C<3>,2|O<1>}	106.1325	0.913	2	106.1325	0.833	2	106.1325	0.833	2	106.1325	0.833	2	106.1325	0.833	2	106.1325	0.833	2
542	893	960	0:SP2_SP2_SP3	N[5]	O	N[5]	3:2:2:	3:4:	3:2:	C[5]-3:N[5]-2:O-2:	N[5]-3:C-4:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(OC)	O(N[5]C[5]N[5])(CCHH)	N[5](N[5]C[5]O)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(OC){1|H<1>}	O(N[5]C[5]N[5])(CCHH)	N[5](N[5]C[5]O)(N[5]N[5]){1|H<1>,1|N<2>}	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1
542	909	959	0:SP2_SP2_SP3	N[5]	S	S[5]	4:3:2:	3:3:	3:3:1:1:	S[5]-4:C[5]-3:S-2:	N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(SC[6a])	S(N[5]C[5]S[5])(C[6a]C[6a]2)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(SC[6a]){2|C<3>}	S(N[5]C[5]S[5])(C[6a]C[6a]2)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)2{1|H<1>,1|O<1>,2|C<3>}	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1
542	909	959	0:SP3_SP3_SP3	N[5]	S	S[5]	4:4:2:	3:4:	4:3:1:1:	C[5,5,6]-4:S[5]-4:S-2:	N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC)	S(N[5]C[5,5,6]S[5])(CF3)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]S)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC){2|Cl<1>,2|H<1>,3|C<4>}	S(N[5]C[5,5,6]S[5])(CF3)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]S)(O)2{1|H<1>,3|C<4>}	118.1490	0.000	1	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4
542	909	959	0:SP3_SP3_SP3	N[5]	S	S[5]	4:4:2:	3:4:	4:3:1:1:	C[5,5,6]-4:S[5]-4:S-2:	N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC)	S(N[5]C[5,5,6]S[5])(CF3)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]S)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC){2|H<1>,2|O<2>,3|C<4>}	S(N[5]C[5,5,6]S[5])(CF3)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]S)(O)2{1|H<1>,3|C<4>}	111.7370	0.201	2	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4
542	909	959	0:SP3_SP3_SP3	N[5]	S	S[5]	4:4:2:	3:4:	4:3:1:1:	C[5,5,6]-4:S[5]-4:S-2:	N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC)	S(N[5]C[5,5,6]S[5])(CF3)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]S)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(SC){3|C<4>,4|H<1>}	S(N[5]C[5,5,6]S[5])(CF3)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]S)(O)2{1|H<1>,3|C<4>}	113.6060	0.000	1	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4	113.8072	9.168	4
542	924	959	0:SP2_SP-NON_SP3	N[5]	Br	S[5]	4:3:1:	3:	3:3:1:1:	S[5]-4:C[5]-3:Br-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(Br)	Br(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Br)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(Br){2|C<3>}	Br(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Br)(O)2{1|H<1>,1|O<1>,2|C<3>}	120.7110	1.851	3	120.7110	3.427	3	120.7110	3.427	3	120.7110	3.427	3	120.7110	3.427	3	120.7110	3.427	3
542	928	930	0:SP2_SP2_SPD6	N[5]	Si[5,5]	C	6:3:3:	3:3:2:2:1:1:	3:4:4:	Si[5,5]-6:N[5]-3:C-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Br-1:Br-1:	N[5]-3:C-4:C-4:	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2	C(N[5]Si[5,5]N[5])(CH3)2	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC){1|N<3>,3|C<3>}	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2{2|C<3>,2|H<1>}	C(N[5]Si[5,5]N[5])(CH3)2	136.6150	0.000	1	136.6150	0.000	1	136.6150	0.000	1	136.6150	0.000	1	136.6150	0.000	1	136.6150	0.000	1
542	930	931	0:SP2_SP2_SPD5	N[5]	C	Si[5,5]	5:2:3:	3:3:1:	3:3:2:2:4:	Si[5,5]-5:N[5]-2:C-3:	N[5]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<2>,2|C<4>}	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	126.9335	1.054	2	126.9335	1.112	2	126.9335	1.112	2	126.9335	1.112	2	126.6610	0.779	3	127.0065	0.997	4
542	930	931	0:SP2_SP2_SPD5	N[5]	C	Si[5,5]	5:2:3:	3:3:1:	3:4:3:2:2:	Si[5,5]-5:N[5]-2:C-3:	N[5]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H){1|H<1>,3|C<3>,3|C<4>}	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	126.1160	0.000	1	126.1160	0.000	1	126.1160	0.000	1	126.1160	0.000	1	126.6610	0.779	3	127.0065	0.997	4
542	930	931	0:SP2_SP2_SPD5	N[5]	C	Si[5,6]	5:2:3:	3:4:1:	3:3:3:2:1:	Si[5,6]-5:N[5]-2:C-3:	N[5]-3:C-4:O-1:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:H-1:	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO)	C(N[5]Si[5,6]N[5])(CH3)(O)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])(H)	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO){1|C<4>,4|C<3>}	C(N[5]Si[5,6]N[5])(CH3)(O)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])(H){3|C<4>,5|C<3>}	128.0430	0.000	1	128.0430	0.000	1	128.0430	0.000	1	128.0430	0.000	1	128.0430	0.000	1	127.0065	0.997	4
542	930	946	0:SP2_SP1_SP2	N[5]	C	Ge[5]	4:2:3:	3:3:4:	3:3:	C[5]-4:Ge[5]-2:C-3:	C[6a]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(Ge[5]N[5])(CC[6a]C)	C(C[6a]C[6a]N[6a])(N[5]Ge[5]C[5])(CH3)	Ge[5](N[5]C[5]C)2	N[5](C[5]C[5]HH)(Ge[5]N[5])(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]Ge[5]C[5])(CH3)	Ge[5](N[5]C[5]C)2{4|H<1>}	122.1345	0.803	2	122.1345	0.644	2	122.1345	0.644	2	122.1345	0.644	2	122.1345	0.644	2	122.1345	0.644	2
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:3:3:	3:3:1:	3:3:1:1:	S[5]-4:C[5]-3:C-3:	N[5]-3:C-3:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCO)	C(N[5]C[5]S[5])(CCH)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCO){2|C<3>}	C(N[5]C[5]S[5])(CCH)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	115.9220	0.000	1	115.9220	0.000	1	115.9220	0.000	1	117.0992	1.001	6	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:3:3:	3:3:1:	3:3:1:1:	S[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]O)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	117.9090	1.153	2	117.9090	1.328	2	117.9090	1.328	2	117.0992	1.001	6	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:3:3:	3:3:1:	3:3:1:1:	S[5]-4:C[5]-3:C-3:	N[5]-3:N-3:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO)	C(N[5]C[5]S[5])(NCH)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO){2|C<3>}	C(N[5]C[5]S[5])(NCH)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	117.5990	0.000	1	117.5990	0.000	1	116.9517	0.458	3	117.0992	1.001	6	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:3:3:	3:3:1:	3:3:1:1:	S[5]-4:C[5]-3:C-3:	N[5]-3:N-3:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO)	C(N[5]C[5]S[5])(NC[6]H)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO){2|C<3>}	C(N[5]C[5]S[5])(NC[6]H)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	116.2490	0.000	1	116.2490	0.000	1	116.9517	0.458	3	117.0992	1.001	6	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:3:3:	3:3:1:	3:3:1:1:	S[5]-4:C[5]-3:C-3:	N[5]-3:N-3:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO)	C(N[5]C[5]S[5])(NC[6a]H)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO){2|C<3>}	C(N[5]C[5]S[5])(NC[6a]H)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	117.0070	0.000	1	117.0070	0.000	1	116.9517	0.458	3	117.0992	1.001	6	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:3:3:	3:3:2:	3:3:1:1:	S[5]-4:C[5]-3:C-3:	N[5]-3:C[6a]-3:N-2:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]N)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(NC)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]N){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(NC)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|H<1>,1|O<1>,2|C<3>}	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:3:3:	3:4:1:	4:3:1:1:	S[5]-4:N[5]-3:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](S[5]C[5]OO)(N[5]C[5]H)(CCO)	C(N[5]N[5]S[5])(CC[6a]HH)(O)	S[5](C[5]C[5]CH)(N[5]N[5]C)(O)2	N[5](S[5]C[5]OO)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	C(N[5]N[5]S[5])(CC[6a]HH)(O)	S[5](C[5]C[5]CH)(N[5]N[5]C)(O)2{3|H<1>}	123.1990	0.000	1	123.1990	0.000	1	123.1990	0.000	1	123.1990	0.000	1	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:2:1:1:	C[5,6]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5,6]C[5,6]O[6]H)(S[5]O[5]OO)(COO)	C(N[5]C[5,6]S[5])(OC)(O)	S[5](N[5]C[5,6]C)(O[5]C[5,6])(O)2	N[5](C[5,6]C[5,6]O[6]H)(S[5]O[5]OO)(COO){1|H<1>,2|C<4>}	C(N[5]C[5,6]S[5])(OC)(O)	S[5](N[5]C[5,6]C)(O[5]C[5,6])(O)2{1|C<4>,1|O<2>,2|H<1>}	120.3560	0.059	2	120.3560	0.004	2	120.3560	0.004	2	120.3382	1.064	10	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:2:1:1:	C[5]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO)	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO){1|C<3>,1|C<4>}	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	119.8760	0.028	2	119.5452	0.149	4	120.3337	1.367	8	120.3382	1.064	10	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:2:1:1:	C[5]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO)	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO){1|C<4>,1|H<1>}	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<4>,3|H<1>}	119.2145	0.086	2	119.5452	0.149	4	120.3337	1.367	8	120.3382	1.064	10	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:2:1:1:	C[5]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO)	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	119.4210	0.000	1	121.1223	1.384	4	120.3337	1.367	8	120.3382	1.064	10	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:2:1:1:	C[5]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO)	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO){1|H<1>,1|P<4>,2|C<3>}	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,1|P<4>,2|H<1>}	121.6893	0.383	3	121.1223	1.384	4	120.3337	1.367	8	120.3382	1.064	10	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:3:1:1:	C[5]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5,5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)(COO)	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)2	N[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<4>}	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)2{1|C<3>,2|C<4>,4|H<1>}	120.7650	0.721	2	120.7650	0.520	2	122.0400	5.908	4	122.7036	6.632	5	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:3:1:1:	C[5]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5,5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,5]C[6a]H)(S[5]N[5,5]OO)(COO)	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)2	N[5](C[5]C[5,5]C[6a]H)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)2{1|C<3>,2|C<4>,4|H<1>}	121.0020	0.000	1	121.0020	0.000	1	122.0400	5.908	4	122.7036	6.632	5	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:3:1:1:	C[5]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5,5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,5]HH)(S[5]N[5,5]OO)(COO)	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)2	N[5](C[5]C[5,5]HH)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<4>}	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)2{2|C<4>,5|H<1>}	125.6280	0.000	1	125.6280	0.000	1	122.0400	5.908	4	122.7036	6.632	5	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:2:1:	3:3:1:1:	C[5]-4:S[5]-4:C-3:	N[5]-3:O-2:O-1:	N[5,6]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(COO)	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)2	N[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(COO){1|H<1>,2|C<4>}	C(N[5]C[5]S[5])(OC)(O)	S[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)2{2|C<4>,5|H<1>}	125.3580	0.000	1	125.3580	0.000	1	125.3580	0.000	1	122.7036	6.632	5	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	3:3:1:1:	C[5,5]-4:S[5]-4:C-3:	N[5]-3:C-3:O-1:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]N[5]OO)(CCO)	C(N[5]C[5,5]S[5])(CCH)(O)	S[5](N[5]C[5,5]C)2(O)2	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]N[5]OO)(CCO){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,5]S[5])(CCH)(O)	S[5](N[5]C[5,5]C)2(O)2{1|C<3>,1|C<4>,2|H<1>}	129.7670	0.000	1	129.7670	0.000	1	129.7670	0.000	1	118.1210	102.846	3	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	3:3:1:1:	S[5]-4:S[5]-4:C-3:	N[5]-3:N-3:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)2(CNO)	C(N[5]S[5]2)(NCC)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)2	N[5](S[5]C[5,6a]OO)2(CNO){2|C<3>}	C(N[5]S[5]2)(NCC)(O)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)2{1|H<1>,2|C<3>,2|O<1>}	112.2980	1.499	2	112.2980	2.247	2	112.2980	2.247	2	118.1210	102.846	3	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[4]-3:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[4]O)	C(C[4]C[4,5,6]C[4])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[4]O){3|C<4>,4|H<1>}	C(C[4]C[4,5,6]C[4])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.6010	1.400	2	122.6010	1.960	2	122.6010	1.960	2	122.5775	3.554	17	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[6a]-3:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){3|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	122.5775	3.554	17	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCN)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCN)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	122.5775	3.554	17	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[5a]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O)	C(N[5]C[5,5,6]S[5])(C[5a]C[5a]O[5a])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[5a]C[5a]O[5a])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.7900	1.370	2	122.7900	1.878	2	122.7900	1.878	2	122.5775	3.554	17	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	C(N[5]C[5,5,6]S[5])(C[6a]C[6a]2)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[6a]C[6a]2)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.0370	0.686	7	123.0370	0.470	7	123.0370	0.470	7	122.5775	3.554	17	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5]-4:S[5]-4:C-3:	N[5]-3:C-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5]S[5])(CCH)(O)	S[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)2	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]C[5]OO)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,5]S[5])(CCH)(O)	S[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)2{1|C<3>,1|C<4>,2|H<1>}	123.8323	0.774	4	123.8323	0.599	4	123.8323	0.599	4	122.5775	3.554	17	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CBrCH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CBrCH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.0200	0.000	1	123.0200	0.000	1	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCCH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.8401	0.860	7	123.8401	0.739	7	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCHH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.5995	0.473	4	122.5995	0.224	4	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHN)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCHN)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.4480	0.000	1	122.4480	0.000	1	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHO)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCHO)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.7553	0.355	3	123.7553	0.126	3	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[5a]CH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CC[5a]CH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.9510	0.000	1	123.9510	0.000	1	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[6a]CH)(O)	S[5](C[5]C[3x5,6]CH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|H<1>,4|C<4>}	C(N[5]C[5,5,6]S[5])(CC[6a]CH)(O)	S[5](C[5]C[3x5,6]CH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.9300	0.000	1	123.9300	0.000	1	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[6a]CH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CC[6a]CH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	124.1380	0.000	1	124.1380	0.000	1	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[6a]CS)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CC[6a]CS)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	125.4690	0.000	1	125.4690	0.000	1	123.5751	0.816	20	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[3]-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[3]O)	C(N[5]C[5,5,6]S[5])(C[3]C[3]N[3]C)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[3]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[3]C[3]N[3]C)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O)	C(N[5]C[5,5,6]S[5])(C[5]C[5]N[5]C)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[5]C[5]N[5]C)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	124.0910	0.000	1	124.0910	0.000	1	123.1113	3.418	3	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O)	C(N[5]C[5,5,6]S[5])(C[5]C[5]N[5]H)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[5]C[5]N[5]H)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.6215	2.323	2	122.6215	5.396	2	123.1113	3.418	3	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[6]-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O)	C(N[5]C[5,5,6]S[5])(C[6]C[6]N[6]H)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[6]C[6]N[6]H)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	123.3660	1.442	25	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	4:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,5,6]O)	C(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,5,6]O){3|C<4>,4|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]N[5,5])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	126.4700	0.000	1	126.4700	0.000	1	126.4700	0.000	1	124.9695	4.503	2	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP2_SP2_SP3	N[5]	C	S[5]	4:4:3:	4:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[6]-4:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O)	C(C[6]C[6,6a]C[6]H)(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6]O){3|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.4690	0.000	1	123.4690	0.000	1	123.4690	0.000	1	124.9695	4.503	2	121.9136	9.305	70	121.9136	9.305	70
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	3:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[6a]-3:N[5]-3:O-1:	C[5]-3:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]H)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){3|C<4>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]H)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[4]-3:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[4]O)	C(C[4]C[4,5,6]C[4])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[4]O){3|C<4>,4|H<1>}	C(C[4]C[4,5,6]C[4])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.5120	0.000	1	123.5120	0.000	1	123.5120	0.000	1	121.3605	3.309	12	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,6]O)	C(C[5,6]C[5,5,6]C[5,6])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,6]O){3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	121.8870	1.688	4	121.8870	2.848	4	121.8870	2.848	4	121.3605	3.309	12	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[5a]-3:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O)	C(C[5a]C[5a,6a]C[5a])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O){3|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	121.0360	0.000	1	121.0360	0.000	1	121.0360	0.000	1	121.3605	3.309	12	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[6a]-3:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|C<3>,1|H<1>,2|C<4>}	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	121.3605	3.309	12	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	121.3605	3.309	12	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[5a]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O)	C(N[5]C[5,5,6]S[5])(C[5a]C[5a]N[5a])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5a]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[5a]C[5a]N[5a])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	120.0420	1.319	2	120.0420	1.741	2	120.0420	1.741	2	121.3605	3.309	12	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O)	C(N[5]C[5,5,6]S[5])(C[6a]C[6a]2)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[6a]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[6a]C[6a]2)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.8680	0.000	2	122.8680	0.000	2	122.8680	0.000	2	121.3605	3.309	12	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCCH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCCH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.8633	0.898	6	122.8633	0.807	6	122.8331	0.613	14	123.1257	2.310	16	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCHH)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.9862	0.754	4	122.9862	0.568	4	122.8331	0.613	14	123.1257	2.310	16	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CCHN)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CCHN)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.3280	0.116	2	123.3280	0.013	2	122.8331	0.613	14	123.1257	2.310	16	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CC[5]HO)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CC[5]HO)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	121.8150	0.000	1	121.8150	0.000	1	122.8331	0.613	14	123.1257	2.310	16	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(N[5]C[5,5,6]S[5])(CHHS)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(CHHS)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.0680	0.000	1	122.0680	0.000	1	122.8331	0.613	14	123.1257	2.310	16	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O)	C(N[5]C[5,5,6]S[5])(C[5]C[5]2H)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[5]C[5]2H)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	122.2500	0.000	1	122.2500	0.000	1	125.1740	17.100	2	123.1257	2.310	16	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	3:4:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O)	C(N[5]C[5,5,6]S[5])(C[5]C[5]O[5]C)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5]O){3|C<4>,4|H<1>}	C(N[5]C[5,5,6]S[5])(C[5]C[5]O[5]C)(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	128.0980	0.000	1	128.0980	0.000	1	125.1740	17.100	2	123.1257	2.310	16	122.3438	3.374	30	122.3438	3.374	30
542	930	959	0:SP3_SP2_SP3	N[5]	C	S[5]	4:4:3:	4:3:1:	4:3:1:1:	C[5,5,6]-4:S[5]-4:C-3:	C[5,5,6]-4:N[5]-3:O-1:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,5,6]O)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CC[5,5,6]O){3|C<4>,4|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(N[5]C[5,5,6]S[5])(O)	S[5](C[5]C[3x5,6]HH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	123.5930	0.000	1	123.5930	0.000	1	123.5930	0.000	1	123.5930	0.000	1	122.3438	3.374	30	122.3438	3.374	30
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:1:1:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]Pd)(N[5]N[5])(CHH)	C(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]C)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CHH){2|C<4>}	C(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]C)2{1|Pd<5>,1|C<4>}	118.0590	0.000	1	118.0590	0.000	1	118.0590	0.000	1	118.0590	0.000	1	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:2:1:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]C[5])(COO)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]C)(N[5]C[5])(COO){1|O<2>,2|C<3>}	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]O)(N[5]C[5]C){3|C<3>}	121.4120	0.000	1	121.4120	0.000	1	121.4120	0.000	1	119.6307	2.452	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:2:1:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:S-2:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CSS)	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CSS){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	118.7400	0.380	2	118.7400	0.145	2	118.7400	0.145	2	119.6307	2.452	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:3:1:	3:3:	C[5,6a]-3:N[5]-2:C-3:	N[5]-3:C-3:O-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C(N[5]C[5,6a]N[5])(CCH)(O)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CCH)(O)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	121.3163	0.764	3	121.3163	0.584	3	121.3163	0.584	3	119.0219	2.799	12	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]O)(N[5]C[5])(CNS){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]C)(N[5]C[5]C){1|N<2>,1|O<1>}	118.1891	1.141	7	118.1891	1.302	7	118.2571	1.071	9	119.0219	2.799	12	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:3:1:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]N[5]N)(N[5]C[5])(CNS){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]N[5]N)(N[5]C[5]C){1|H<1>,1|N<3>}	118.4950	0.782	2	118.4950	0.612	2	118.2571	1.071	9	119.0219	2.799	12	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	N[5]-3:N[6]-3:N-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N)	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	120.1410	0.001	2	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:N[5]-2:C-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]Pd)(N[5]C[5])(CC[5a]2)	C(C[5a]C[5a]N[5a])2(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Pd)(N[5]C[5])(CC[5a]2){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]C){1|Pd<4>,1|C<4>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	120.1410	0.001	2	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:3:4:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:C-3:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCC){1|Co<6>,1|H<1>}	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Co<6>,1|H<1>}	121.1238	0.643	4	121.2952	0.321	6	121.2439	0.286	7	121.2439	0.286	7	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:3:4:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:C-3:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCC){1|Ni<6>,1|H<1>}	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	N[5](C[5]N[5]H)(N[5]C[5]C){1|Ni<6>,1|H<1>}	121.6380	0.098	2	121.2952	0.321	6	121.2439	0.286	7	121.2439	0.286	7	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:3:4:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:C-3:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	N[5](C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]H)(N[5]C[5])(CCC){2|H<1>}	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	N[5](C[5]N[5]H)(N[5]C[5]C){2|H<1>}	120.9360	0.000	1	120.9360	0.000	1	121.2439	0.286	7	121.2439	0.286	7	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:4:1:	3:3:	C[5,6a]-3:N[5]-2:C-3:	N[5]-3:C-4:O-1:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C(N[5]C[5,6a]N[5])(CCHN)(O)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CCHN)(O)	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]O){2|C<3>}	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	118.2510	5.235	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	3:2:3:	3:4:1:	3:3:	C[5]-3:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CCHH)(O)	N[5](C[5]S[5]C)(N[5]C[5]C)	N[5](C[5]S[5]S)(N[5]C[5])(CCO){1|C<4>}	C(N[5]C[5]N[5])(CCHH)(O)	N[5](C[5]S[5]C)(N[5]C[5]C){1|S<1>}	116.9320	0.177	2	116.9320	0.031	2	116.9320	0.031	2	118.2510	5.235	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:1:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:H-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO)	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	120.3170	0.000	1	120.3170	0.000	1	120.0605	0.107	4	120.0605	0.107	4	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:1:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:H-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO)	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	119.5840	0.000	1	119.5840	0.000	1	120.0605	0.107	4	120.0605	0.107	4	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:1:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:H-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO)	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	120.1705	0.071	2	120.1705	0.005	2	120.0605	0.107	4	120.0605	0.107	4	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:2:1:	3:3:	C[5,5]-4:N[5]-2:C-3:	N[5]-3:O-2:O-1:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)	C(N[5]C[5,5]N[5])(OC)(O)	N[5](N[5]C[5,5]C)(C[5]O[5]O)	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5,5]N[5])(OC)(O)	N[5](N[5]C[5,5]C)(C[5]O[5]O){2|C<3>}	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	121.5975	6.427	6	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:2:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(COO)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	118.8800	0.000	1	118.8800	0.000	1	121.5733	6.533	3	121.5975	6.427	6	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:2:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]N)(N[5]C[5])(COO)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]N)(N[5]C[5])(COO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	122.9200	1.478	2	122.9200	2.184	2	121.5733	6.533	3	121.5975	6.427	6	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:2:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:S-2:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]2H)(N[5]C[5])(CSS)	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2H)(N[5]C[5])(CSS){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	120.2600	0.000	1	120.2600	0.000	1	120.2600	0.000	1	121.5975	6.427	6	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:2:1:	3:3:	Si[5,6]-4:N[5]-2:C-3:	N[5]-3:O-2:O-1:	N[5]-3:C[5]-3:	N[5](Si[5,6]N[6]2O[5])(N[5]C[5])(COO)	C(N[5]Si[5,6]N[5])(OC)(O)	N[5](N[5]Si[5,6]C)(C[5]O[5]O)	N[5](Si[5,6]N[6]2O[5])(N[5]C[5])(COO){1|O<2>,4|C<3>}	C(N[5]Si[5,6]N[5])(OC)(O)	N[5](N[5]Si[5,6]C)(C[5]O[5]O){2|N<3>}	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	121.5975	6.427	6	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5,5,6,6]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(N[5]C[5])(CC[6a]O)	C(N[5]C[5,5,6,6]N[5])(C[6a]C[6a]N[6a])(O)	N[5](C[5]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(N[5]C[5])(CC[6a]O){1|C<4>,1|H<1>,6|C<3>}	C(N[5]C[5,5,6,6]N[5])(C[6a]C[6a]N[6a])(O)	N[5](C[5]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C){1|N<2>,2|C<4>,3|C<3>}	122.4830	0.000	1	122.4830	0.000	1	122.4830	0.000	1	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5,5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CC[6a]O)	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CC[6a]O){5|C<3>}	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C){4|C<3>}	123.2330	0.000	1	123.2330	0.000	1	123.2330	0.000	1	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	C[5a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(N[5]C[5])(CC[5a]H)	C(C[5a]C[5a]S[5a])(N[5]C[5]N[5])(H)	N[5](C[5]N[5]O)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(N[5]C[5])(CC[5a]H){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(N[5]C[5]N[5])(H)	N[5](C[5]N[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>}	124.1950	0.000	1	124.1950	0.000	1	124.1950	0.000	1	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	C[5a]-3:N[5]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]O)	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]O){1|C<4>,2|H<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>}	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-3:O-1:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]CH)(N[5]C[5,6])(CCO)	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)	N[5](C[5]N[5,6]CH)(N[5]C[5,6])(CCO){2|C<3>}	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	123.6630	0.000	1	123.6630	0.000	1	123.6630	0.000	1	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|S<2>,2|C<3>,3|H<1>}	123.9060	0.000	1	123.9060	0.000	1	122.9200	0.962	3	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	122.9100	0.000	1	122.9100	0.000	1	122.9200	0.962	3	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CHH)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CHH)(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	121.9440	0.000	1	121.9440	0.000	1	122.9200	0.962	3	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]H){1|O<2>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]O)(N[5]C[5]C){4|H<1>}	123.8660	0.000	1	123.8660	0.000	1	124.6005	1.079	2	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]O)(N[5]C[5]C){1|C<3>,3|H<1>}	125.3350	0.000	1	125.3350	0.000	1	124.6005	1.079	2	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(N[5]C[5])(CC[6a]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]CC)(N[5]C[5])(CC[6a]O){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	125.0960	0.000	1	125.0960	0.000	1	123.5175	3.854	12	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(CC[6a]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(CC[6a]O){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	126.3560	0.000	1	126.3560	0.000	1	123.5175	3.854	12	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CO)(N[5]C[5])(CC[6a]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CO)(N[5]C[5])(CC[6a]O){1|C<4>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>}	122.7020	0.673	3	122.7020	0.452	3	123.5175	3.854	12	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	125.7670	0.000	1	123.9375	2.147	4	123.5175	3.854	12	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]O){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	123.3277	0.994	3	123.9375	2.147	4	123.5175	3.854	12	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CC[6a]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<2>,2|H<1>}	122.5300	0.000	1	122.5300	0.000	1	123.5175	3.854	12	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CC[6a]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CC[6a]O){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|O<2>,2|H<1>,3|C<3>}	125.1250	0.000	1	125.1250	0.000	1	123.5175	3.854	12	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]S[5]CC)(N[5]C[5])(CC[6a]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]S[5]CC)(N[5]C[5])(CC[6a]O){1|N<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(O)	N[5](C[5]S[5]N)(N[5]C[5]C){2|C<4>}	119.2470	0.000	1	119.2470	0.000	1	123.5175	3.854	12	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:O-1:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNO)	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNO){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	121.1510	0.000	1	121.1510	0.000	1	118.5970	13.046	2	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:O-1:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]C[5]H)(N[5]C[5,6])(CNO)	C(N[5]C[5]N[5])(NC[6a]H)(O)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)	N[5](C[5]N[5,6]C[5]H)(N[5]C[5,6])(CNO){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5]N[5])(NC[6a]H)(O)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	116.0430	0.000	1	116.0430	0.000	1	118.5970	13.046	2	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	121.4400	0.000	1	121.4400	0.000	1	121.4390	0.000	2	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	121.4380	0.000	1	121.4380	0.000	1	121.4390	0.000	2	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]CC)(N[5]C[5,6])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)	N[5](C[5]C[5,6]CC)(N[5]C[5,6])(CNS){1|H<1>,2|C<4>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C){3|H<1>,4|C<4>}	117.9160	0.000	1	117.9160	0.000	1	118.8153	0.771	3	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	119.6710	0.000	1	119.6710	0.000	1	118.8153	0.771	3	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	118.8590	0.000	1	118.8590	0.000	1	118.8153	0.771	3	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CO)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CO)(N[5]C[5])(CNS){1|C<4>,2|H<1>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>}	118.1190	0.000	1	118.1190	0.000	1	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS){1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	120.3700	0.000	1	120.3700	0.000	1	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	119.8645	0.163	2	119.8645	0.027	2	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	120.1270	0.000	1	120.1270	0.000	1	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	121.4580	0.000	1	121.4580	0.000	1	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	120.5110	0.000	1	120.3300	0.066	2	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|S<2>,2|C<3>,3|H<1>}	120.1490	0.000	1	120.3300	0.066	2	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	119.6723	0.110	3	119.7018	0.250	12	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	119.7116	0.583	9	119.7018	0.250	12	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CNS){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<2>,2|H<1>}	119.5530	0.000	1	119.5530	0.000	1	119.8303	0.479	21	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	In[5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:	N[5](In[5]O[5]SS)(N[5]C[5])(CC[6a]H)	C(C[6a]C[6a]N[6a])(N[5]In[5]N[5])(H)	N[5](C[5]C[6a]O[5])(N[5]In[5]C)	N[5](In[5]O[5]SS)(N[5]C[5])(CC[6a]H){1|C<3>}	C(C[6a]C[6a]N[6a])(N[5]In[5]N[5])(H)	N[5](C[5]C[6a]O[5])(N[5]In[5]C){2|C<3>,2|S<2>}	118.6610	0.000	1	118.6610	0.000	1	118.6610	0.000	1	121.3406	5.313	51	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:2:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:N-2:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(N[5]C[5])(CNN)	C(N[5]C[5]N[5])(NHH)(NC)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CC)(N[5]C[5])(CNN){1|C<4>,2|H<1>}	C(N[5]C[5]N[5])(NHH)(NC)	N[5](C[5]C[5]C)(N[5]C[5]C){2|C<4>,2|H<1>}	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	117.7063	1.438	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:2:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:S-2:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	C(N[5]C[5]N[5])(NHH)(SCo)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NHH)(SCo)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	117.6430	1.689	2	117.6430	2.851	2	117.6430	2.851	2	117.7063	1.438	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:3:	3:3:	C[5,5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2)	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2){6|C<3>}	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C){1|H<1>,4|C<3>}	123.9970	0.000	1	123.9970	0.000	1	123.9970	0.000	1	120.8972	15.904	4	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:3:	3:3:	C[5,5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CC[6a]2)	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2	N[5](C[5]C[5,5]O)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CC[6a]2){1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2	N[5](C[5]C[5,5]O)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|H<1>}	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	120.8972	15.904	4	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:3:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:N-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CN)(N[5]C[5])(CNN)	C(N[5]C[5]N[5])(NHH)2	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]CN)(N[5]C[5])(CNN){1|C<4>,2|H<1>}	C(N[5]C[5]N[5])(NHH)2	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>}	116.2340	0.000	1	116.2340	0.000	1	117.5810	3.629	2	120.8972	15.904	4	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:3:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:N-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNN)	C(N[5]C[5]N[5])(NHH)2	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNN){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(NHH)2	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	118.9280	0.000	1	118.9280	0.000	1	117.5810	3.629	2	120.8972	15.904	4	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:3:	3:4:	B[5,5a]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:P[5]-4:	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2)	C(N[5]B[5,5a]N[5])(C[6a]C[6a]2)2	N[5](N[5]B[5,5a]C)(P[5]O[5]CC)	N[5](B[5,5a]O[5a]2O[5])(N[5]P[5])(CC[6a]2){2|C<3>,2|C<4>}	C(N[5]B[5,5a]N[5])(C[6a]C[6a]2)2	N[5](N[5]B[5,5a]C)(P[5]O[5]CC){2|O<2>}	120.9645	0.187	2	120.9645	0.035	2	120.9645	0.035	2	120.9645	0.035	2	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:4:	3:3:	C[5,5,6]-4:N[5]-2:C-3:	N[5]-3:C[5a]-3:C-4:	C[5]-3:N[5]-3:	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CC[5a]C)	C(N[5]C[5,5,6]N[5])(C[5a]C[5a]O[5a])(CH3)	N[5](C[5]C[5,5,6]O)(N[5]C[5,5,6]C)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CC[5a]C){1|O<1>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6]N[5])(C[5a]C[5a]O[5a])(CH3)	N[5](C[5]C[5,5,6]O)(N[5]C[5,5,6]C){2|C<4>,2|H<1>}	122.3450	0.000	2	122.3450	0.000	2	122.3450	0.000	2	121.3683	2.862	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:4:	3:3:	Ga[5,5]-4:N[5]-2:C-3:	C[6a]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C)	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	N[5](N[5]Ga[5,5]C)(C[5]S[5]N)	N[5](Ga[5,5]N[5]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	N[5](N[5]Ga[5,5]C)(C[5]S[5]N){1|N<3>,1|S<2>}	119.4150	0.000	1	119.4150	0.000	1	119.4150	0.000	1	121.3683	2.862	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5,5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO)	C(N[5]C[5,5]N[5])(CC3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO){5|C<3>}	C(N[5]C[5,5]N[5])(CC3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C){4|C<3>}	125.7940	0.000	1	125.7940	0.000	1	125.7940	0.000	1	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5,6]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	N[5]-3:C[5]-3:	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C(N[5]C[5,6]N[5])(CH3)(O)	N[5](N[5]C[5,6]C)(C[5]S[5]N)	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(N[5]C[5,6]N[5])(CH3)(O)	N[5](N[5]C[5,6]C)(C[5]S[5]N){1|C<3>,1|C<4>}	118.9350	0.000	1	117.7600	0.778	8	117.7600	0.778	8	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5,6]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	N[5]-3:C[5]-3:	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C(N[5]C[5,6]N[5])(CH3)(O)	N[5](N[5]C[5,6]C)(C[5]S[5]N)	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|N<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6]N[5])(CH3)(O)	N[5](N[5]C[5,6]C)(C[5]S[5]N){2|C<4>}	117.4233	1.139	3	117.7600	0.778	8	117.7600	0.778	8	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5,6]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	N[5]-3:C[5]-3:	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO)	C(N[5]C[5,6]N[5])(CH3)(O)	N[5](N[5]C[5,6]C)(C[5]S[5]N)	N[5](C[5,6]C[6]2S[5])(N[5]C[5])(CCO){1|N<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6]N[5])(CH3)(O)	N[5](N[5]C[5,6]C)(C[5]S[5]N){2|C<4>}	117.7188	0.611	4	117.7600	0.778	8	117.7600	0.778	8	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CCO){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]2H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]2H)(N[5]C[5])(CCO){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	122.1790	0.000	1	122.1790	0.000	1	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(CCO){3|H<1>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[5]H)(N[5]C[5]C){1|C<3>,3|H<1>}	121.9830	0.000	1	121.9830	0.000	1	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]CH)(N[5]C[5])(CCO){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	123.5750	0.000	1	123.5750	0.000	1	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CN[5a]HH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5]HH)(N[5]C[5])(CCO){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CN[5a]HH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,4|H<1>}	121.6180	0.000	1	121.6180	0.000	1	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	122.6450	0.000	1	122.3817	0.849	4	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|S<2>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	123.0820	0.000	1	122.3817	0.849	4	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	121.9000	1.235	2	122.3817	0.849	4	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6]S[5]C)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]C[6]S[5]C)(N[5]C[5])(CCO){1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C){2|C<4>}	117.6300	0.000	1	117.6300	0.000	1	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CCHH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CCHH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	122.0180	0.162	5	122.0180	0.026	5	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	121.6520	0.000	1	122.2754	0.150	5	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,3|H<1>}	122.4313	0.195	4	122.2754	0.150	5	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){1|N<2>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	122.0730	0.000	1	122.0838	0.486	43	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	122.0840	0.705	42	122.0838	0.486	43	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|O<2>,2|H<1>}	121.8327	0.330	3	121.8327	0.109	3	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|O<2>,2|H<1>,3|C<3>}	122.0290	0.761	2	122.0290	0.579	2	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]C)(N[5]C[5])(CCO){3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<4>,3|C<3>}	122.4965	1.502	6	122.4965	2.256	6	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	124.0640	0.000	1	123.9520	0.112	3	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	123.8960	0.453	2	123.9520	0.112	3	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CHHO)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C(N[5]C[5]N[5])(CHHO)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	119.2590	0.000	1	119.2590	0.000	1	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]S[5]C)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]S[5]C)(N[5]C[5])(CCO){1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C){1|C<3>,1|C<4>}	119.3085	0.588	2	119.3085	0.345	2	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]S[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]S[5]H)(N[5]C[5])(CCO){1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C){1|C<3>,1|H<1>}	122.1390	0.119	3	122.1390	0.014	3	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]O[5]CC)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]O[5]CC)(N[5]C[5])(CCO){1|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>}	121.0930	0.000	1	121.0930	0.000	1	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]S[5]CC)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]S[5]CC)(N[5]C[5])(CCO){1|N<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C){1|C<3>,1|C<4>}	119.7870	0.000	1	118.7510	0.818	3	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]S[5]CC)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C)	N[5](C[5]S[5]CC)(N[5]C[5])(CCO){1|N<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]S[5]N)(N[5]C[5]C){2|C<4>}	118.2330	0.164	2	118.7510	0.818	3	121.9257	1.507	86	121.6047	2.940	96	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:4:	3:3:	C[5,5,6]-4:N[5]-2:C-3:	N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CCC)	C(N[5]C[5,5,6]N[5])(CCCH)2	N[5](C[5]C[5,5,6]O)(N[5]C[5,5,6]C)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6]N[5])(CCCH)2	N[5](C[5]C[5,5,6]O)(N[5]C[5,5,6]C){2|C<4>,2|H<1>}	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:2:1:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO)	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C){1|C<3>,2|O<2>}	114.0625	4.050	2	114.0625	16.399	2	115.8558	9.944	10	115.8558	9.944	10	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:2:1:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|C<3>,1|N<2>,1|O<2>}	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	111.6650	0.000	1	113.6840	9.573	3	115.8558	9.944	10	115.8558	9.944	10	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:2:1:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	114.6935	3.610	2	113.6840	9.573	3	115.8558	9.944	10	115.8558	9.944	10	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:2:1:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO)	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO){1|O<2>}	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C){1|Cl<1>,2|O<2>}	119.5470	0.000	1	119.5470	0.000	1	115.8558	9.944	10	115.8558	9.944	10	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:2:1:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<2>,2|O<2>}	118.4205	0.347	2	117.4585	3.157	4	115.8558	9.944	10	115.8558	9.944	10	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:2:1:	3:3:	P[5]-5:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	C(N[5]N[5]P[5])(OC)(O)	N[5](C[5]O[5]O)(N[5]P[5]C){1|N<3>,2|O<2>}	116.4965	2.377	2	117.4585	3.157	4	115.8558	9.944	10	115.8558	9.944	10	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:3:1:	3:3:	Si[5,5]-5:N[5]-2:C-3:	N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C)	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H){1|H<1>,3|C<3>,3|C<4>}	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C){1|N<4>,1|O<2>,3|C<3>}	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	119.7250	1.189	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:3:1:	3:3:	Si[5,5]-5:N[5]-2:C-3:	N[5]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<2>,2|C<4>}	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	119.1305	0.507	2	119.1305	0.257	2	119.1305	0.257	2	119.7250	1.189	3	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:3:4:	3:3:	Ga[3x5]-5:N[5]-2:C-3:	C[6a]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C)	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	N[5](N[5]Ga[3x5]C)(C[5]S[5]N)	N[5](Ga[3x5]N[5,5]N[5,6]S[5]2)(N[5]C[5])(CC[6a]C){1|N<2>,1|N<3>,4|C<3>}	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	N[5](N[5]Ga[3x5]C)(C[5]S[5]N){1|S<2>,2|N<3>}	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP2_SP2_SP2	N[5]	C	N[5]	5:2:3:	3:4:1:	3:3:	Si[5,6]-5:N[5]-2:C-3:	N[5]-3:C-4:O-1:	N[5]-3:C[5]-3:	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO)	C(N[5]Si[5,6]N[5])(CH3)(O)	N[5](N[5]Si[5,6]C)(C[5]O[5]C)	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO){1|C<4>,4|C<3>}	C(N[5]Si[5,6]N[5])(CH3)(O)	N[5](N[5]Si[5,6]C)(C[5]O[5]C){1|H<1>,2|N<3>}	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	120.8386	5.814	213	120.8386	5.814	213
542	930	960	0:SP3_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:2:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5,5]O)(N[5]C[5]C)	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO){1|O<2>,2|C<3>}	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5,5]O)(N[5]C[5]C){1|H<1>,3|C<3>}	121.5215	1.430	2	121.5215	2.046	2	121.5215	2.046	2	121.5215	2.046	2	120.4210	4.484	6	120.4210	4.484	6
542	930	960	0:SP3_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:N-3:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	120.4210	4.484	6	120.4210	4.484	6
542	930	960	0:SP3_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:3:3:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]S)	N[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]C){1|C<2>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]S)	N[5](C[5]C[5]C)(N[5]C[5]C){4|H<1>}	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	120.4210	4.484	6	120.4210	4.484	6
542	930	960	0:SP3_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	120.0950	0.000	1	120.0950	0.000	1	121.5940	4.494	2	121.5940	4.494	2	120.4210	4.484	6	120.4210	4.484	6
542	930	960	0:SP3_SP2_SP2	N[5]	C	N[5]	4:2:3:	3:4:1:	3:3:	C[5]-4:N[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO)	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5]H)(N[5]C[5])(CCO){3|C<3>}	C(N[5]C[5]N[5])(CH3)(O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	123.0930	0.000	1	123.0930	0.000	1	121.5940	4.494	2	121.5940	4.494	2	120.4210	4.484	6	120.4210	4.484	6
542	930	976	0:SP2_SP2_SP2	N[5]	C	O[5]	4:2:3:	3:2:1:	3:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<4>,3|H<1>}	114.7375	0.078	2	114.7375	0.006	2	114.2807	0.629	3	114.2807	0.629	3	114.2807	0.629	3	114.2807	0.629	3
542	930	976	0:SP2_SP2_SP2	N[5]	C	O[5]	4:2:3:	3:2:1:	3:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6]H)(O[5]C[5])(COO)	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<4>,3|H<1>}	113.3670	0.000	1	113.3670	0.000	1	114.2807	0.629	3	114.2807	0.629	3	114.2807	0.629	3	114.2807	0.629	3
542	930	976	0:SP2_SP2_SP3	N[5]	C	O[5]	3:2:3:	3:3:3:	4:3:	C[5]-3:O[5]-2:C-3:	N[5]-3:N-3:C-3:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C){3|C<3>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	117.8649	12.460	7	117.8649	12.460	7
542	930	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:3:1:	4:3:	C[5,6]-4:O[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5,6]-4:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,6])(CC[6a]O)	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,6])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2440	0.000	1	121.2440	0.000	1	121.2440	0.000	1	119.3226	4.374	5	117.8649	12.460	7	117.8649	12.460	7
542	930	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:3:1:	4:3:	C[5]-4:O[5]-2:C-3:	C[6a]-3:N[5]-3:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CC)(O[5]C[5])(CC[6a]O)	C(C[6a]C[6a,6a]2)(N[5]C[5]O[5])(O)	O[5](C[5]C[5]HO)(N[5]C[5]C)	N[5](C[5]C[5]CC)(O[5]C[5])(CC[6a]O){1|O<2>,3|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]O[5])(O)	O[5](C[5]C[5]HO)(N[5]C[5]C){2|C<4>,2|H<1>}	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	119.3226	4.374	5	117.8649	12.460	7	117.8649	12.460	7
542	930	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:3:1:	4:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]O)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	119.3226	4.374	5	117.8649	12.460	7	117.8649	12.460	7
542	930	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:3:1:	4:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CC)(O[5]C[5])(CC[6a]O)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[5]HO)(N[5]C[5]C)	N[5](C[5]C[5]CC)(O[5]C[5])(CC[6a]O){1|O<2>,3|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5]C[5]HO)(N[5]C[5]C){2|C<4>,2|H<1>}	117.8040	0.061	2	117.8040	0.004	2	117.8040	0.004	2	119.3226	4.374	5	117.8649	12.460	7	117.8649	12.460	7
542	930	976	0:SP2_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:4:1:	4:3:	C[5,6]-4:O[5]-2:C-3:	N[5]-3:C[6]-4:O-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CC[6]O)	C(N[5]C[5,6]O[5])(C[6]C[6]2H)(O)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CC[6]O){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6]O[5])(C[6]C[6]2H)(O)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>}	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	117.3890	0.000	1	117.8649	12.460	7	117.8649	12.460	7
542	930	976	0:SP3_SP2_SP2	N[5]	C	O[5]	4:2:3:	3:1:1:	3:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CHH)	C(N[5]C[5]O[5])(H)2	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CHH){1|Pt<6>,3|C<3>}	C(N[5]C[5]O[5])(H)2	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<6>,1|C<3>,1|H<1>}	105.7850	0.000	1	105.7850	0.000	1	105.7850	0.000	1	105.7850	0.000	1	110.1446	17.360	7	110.1446	17.360	7
542	930	976	0:SP3_SP2_SP2	N[5]	C	O[5]	4:2:3:	3:2:1:	3:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<4>,3|H<1>}	113.1873	1.875	4	112.1736	7.774	5	112.1736	7.774	5	112.1736	7.774	5	110.1446	17.360	7	110.1446	17.360	7
542	930	976	0:SP3_SP2_SP2	N[5]	C	O[5]	4:2:3:	3:2:1:	3:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<4>,3|H<1>}	108.1190	0.000	1	112.1736	7.774	5	112.1736	7.774	5	112.1736	7.774	5	110.1446	17.360	7	110.1446	17.360	7
542	930	976	0:SP3_SP2_SP2	N[5]	C	O[5]	4:2:3:	3:3:1:	3:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H){1|Pt<4>,3|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	104.3590	0.000	1	110.1446	17.360	7	110.1446	17.360	7
542	930	976	0:SP3_SP2_SP3	N[5,6]	C	O[5,6]	4:2:3:	3:2:1:	4:3:	C[5,5,6]-4:O[5,6]-2:C-3:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(COO)	C(N[5,6]C[5,5,6]O[5,6])(OC)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(COO){1|C<4>,1|N<3>,4|H<1>}	C(N[5,6]C[5,5,6]O[5,6])(OC)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C){1|C<4>,1|N<2>,4|H<1>}	112.6490	0.000	1	112.6490	0.000	1	111.2115	4.133	2	111.2115	4.133	2	112.3630	11.622	5	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5,6]	C	O[5,6]	4:2:3:	3:2:1:	4:3:	C[5,5,6]-4:O[5,6]-2:C-3:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(COO)	C(N[5,6]C[5,5,6]O[5,6])(OC[6a])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(COO){1|C<3>,4|H<1>}	C(N[5,6]C[5,5,6]O[5,6])(OC[6a])(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C){1|C<3>,4|H<1>}	109.7740	0.000	1	109.7740	0.000	1	111.2115	4.133	2	111.2115	4.133	2	112.3630	11.622	5	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5,6]	C	O[5,6]	4:2:3:	3:3:1:	4:3:	C[5,5,6]-4:O[5,6]-2:C-3:	N[5,6]-3:C[6a]-3:O-1:	C[5,5,6]-4:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CC[6a]O)	C(N[5,6]C[5,5,6]O[5,6])(C[6a]C[6a]2)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CC[6a]O){1|C<3>,1|C<4>,4|H<1>}	C(N[5,6]C[5,5,6]O[5,6])(C[6a]C[6a]2)(O)	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C){1|C<4>,1|O<2>,4|H<1>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	113.1307	18.968	3	112.3630	11.622	5	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5,6]	C	O[5,6]	4:2:3:	3:3:1:	4:3:	C[5,5,6]-4:O[5,6]-2:C-3:	N[5,6]-3:N-3:O-1:	C[5,5,6]-4:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(CNO)	C(N[5,6]C[5,5,6]O[5,6])(NHH)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(N[5,6]C[5,5,6]C)	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(CNO){1|C<3>,4|C<4>}	C(N[5,6]C[5,5,6]O[5,6])(NHH)(O)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(N[5,6]C[5,5,6]C){1|C<3>,4|C<4>}	110.6165	0.101	2	110.6165	0.010	2	110.6165	0.010	2	113.1307	18.968	3	112.3630	11.622	5	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5]	C	O[5]	3:2:3:	3:3:3:	4:3:	C[5]-3:O[5]-2:C-3:	N[5]-3:C-3:N-3:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C){3|C<3>}	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	116.0360	16.498	7	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:2:1:	4:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C){2|C<4>,3|H<1>}	118.4390	0.000	1	118.4390	0.000	1	118.4390	0.000	1	116.0752	7.593	4	116.0360	16.498	7	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:2:1:	4:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CH)(O[5]C[5])(COO)	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5]C[5]CH)(O[5]C[5])(COO){4|H<1>}	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]HH)(N[5]C[5]C){1|C<4>,3|H<1>}	112.1310	0.000	1	112.1310	0.000	1	115.2873	7.665	3	116.0752	7.593	4	116.0360	16.498	7	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:2:1:	4:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CH)(O[5]C[5])(COO)	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]HO)(N[5]C[5]C)	N[5](C[5]C[5]CH)(O[5]C[5])(COO){1|O<2>,3|H<1>}	C(N[5]C[5]O[5])(OC)(O)	O[5](C[5]C[5]HO)(N[5]C[5]C){1|C<3>,3|H<1>}	116.8655	0.622	2	116.8655	0.386	2	115.2873	7.665	3	116.0752	7.593	4	116.0360	16.498	7	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:3:1:	4:3:	C[5]-4:O[5]-2:C-3:	N[5]-3:C[6a]-3:O-1:	C[5,5]-4:N[5]-3:	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]O)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(O)	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	116.0360	16.498	7	114.5056	16.802	12
542	930	976	0:SP3_SP2_SP3	N[5]	C	O[5]	4:2:3:	3:4:1:	4:3:	C[5,6]-4:O[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)	C(N[5]C[5,6]O[5])(CCCH)(O)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6]O[5])(CCCH)(O)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>}	115.9190	0.000	1	115.9190	0.000	1	115.9190	0.000	1	115.9190	0.000	1	116.0360	16.498	7	114.5056	16.802	12
542	930	997	0:SP2_SP2_SP3	N[5]	C	Se[5]	3:2:3:	3:4:1:	3:3:	C[5]-3:Se[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5,6a]-3:N[5]-3:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO)	C(N[5]Se[5]C[5])(CCHH)(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO){2|C<3>}	C(N[5]Se[5]C[5])(CCHH)(O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	120.4395	71.174	2	120.4395	71.174	2
542	930	997	0:SP2_SP2_SP3	N[5]	C	Se[5]	4:2:3:	3:4:1:	4:3:	C[5]-4:Se[5]-2:C-3:	N[5]-3:C-4:O-1:	C[5,5,6]-4:N[5]-3:	N[5](C[5]C[5,5,6]HH)(Se[5]C[5,5,6])(CCO)	C(N[5]Se[5]C[5])(CH3)(O)	Se[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)	N[5](C[5]C[5,5,6]HH)(Se[5]C[5,5,6])(CCO){1|H<1>,1|O<2>,2|C<4>}	C(N[5]Se[5]C[5])(CH3)(O)	Se[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	126.4050	0.000	1	126.4050	0.000	1	126.4050	0.000	1	126.4050	0.000	1	120.4395	71.174	2	120.4395	71.174	2
542	931	955	5:SP2_SP3_SPD5	N[5]	Si[5]	P[5]	4:5:3:	3:3:1:1:1:	3:3:3:3:	P[5]-4:Si[5]-5:C[6a]-3:	N[5]-3:C[5]-3:Cl-1:Cl-1:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C)	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(Cl)3{5|C<3>}	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C){3|Cl<1>,4|H<1>,7|C<3>}	118.5960	0.000	1	118.5960	0.000	1	118.5960	0.000	1	118.5960	0.000	1	118.9283	0.084	3	118.9283	0.084	3
542	931	955	5:SP2_SP3_SPD5	N[5]	Si[5]	P[5]	4:5:3:	3:3:4:1:1:	3:3:3:3:	P[5]-4:Si[5]-5:C[6a]-3:	N[5]-3:C[5]-3:C-4:Cl-1:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2)	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C)	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	Si[5](N[5]C[6a]P[5])(C[5]C[5]C)(CH3)(Cl)2{5|C<3>}	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C){2|Cl<1>,1|C<4>,4|H<1>,7|C<3>}	119.0945	0.040	2	119.0945	0.002	2	119.0945	0.002	2	119.0945	0.002	2	118.9283	0.084	3	118.9283	0.084	3
542	931	960	5:SP2_SP2_SPD5	N[5,6]	Si[5,5,6]	N[5]	5:3:2:	3:3:2:2:4:	3:3:	Si[5,5,6]-5:C[5,6]-3:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5])	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3)	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3){2|C<3>,4|C<4>}	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.3660	1.047	5	113.1199	1.132	10	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5,6]	Si[5,5,6]	N[5]	5:3:2:	3:3:2:2:4:	3:3:	Si[5,5,6]-5:C[6]-3:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	113.2170	0.366	2	113.2170	0.134	2	112.3060	1.372	4	112.3660	1.047	5	113.1199	1.132	10	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5,6]	Si[5,5,6]	N[5]	5:3:2:	3:3:2:2:4:	3:3:	Si[5,5,6]-5:C[6]-3:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,3|C<4>}	110.8190	0.000	1	111.3950	0.664	2	112.3060	1.372	4	112.3660	1.047	5	113.1199	1.132	10	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5,6]	Si[5,5,6]	N[5]	5:3:2:	3:3:2:2:4:	3:3:	Si[5,5,6]-5:C[6]-3:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,3|C<4>}	111.9710	0.000	1	111.3950	0.664	2	112.3060	1.372	4	112.3660	1.047	5	113.1199	1.132	10	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5,6]	Si[5,5,6]	N[5]	5:4:2:	3:3:2:2:4:	3:3:	Si[5,5,6]-5:C[5,6]-4:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5]2)(N[5]C[5])	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3)	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5]2)(N[5]C[5]){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	Si[5,5,6](N[5,6]C[5,6]N[5])2(O[5]C[5])2(CH3){2|C<3>,4|C<4>}	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,4|C<4>}	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	113.8738	0.079	5	113.1199	1.132	10	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5,6]	Si[5,5,6]	N[5]	5:4:2:	3:3:2:2:4:	3:3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,4|C<4>}	114.1175	0.326	2	114.1175	0.106	2	113.9313	0.083	4	113.8738	0.079	5	113.1199	1.132	10	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5,6]	Si[5,5,6]	N[5]	5:4:2:	3:3:2:2:4:	3:3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,4|C<4>}	113.7870	0.000	1	113.7450	0.004	2	113.9313	0.083	4	113.8738	0.079	5	113.1199	1.132	10	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5,6]	Si[5,5,6]	N[5]	5:4:2:	3:3:2:2:4:	3:3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,4|C<4>}	113.7030	0.000	1	113.7450	0.004	2	113.9313	0.083	4	113.8738	0.079	5	113.1199	1.132	10	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5]	Si[5,5]	N[5]	5:2:3:	3:3:2:2:4:	3:3:	Si[5,5]-5:N[5]-2:C-3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	N[5]-3:C[5]-3:	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<2>,2|C<4>}	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	113.6160	0.973	2	113.6160	0.947	2	113.6160	0.947	2	113.6160	0.947	2	114.3633	1.367	6	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5]	Si[5,5]	N[5]	5:2:3:	3:4:3:2:2:	3:3:	Si[5,5]-5:N[5]-2:C-3:	C[6a]-3:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[5]-3:N[5]-3:	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H)	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C)	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H){1|H<1>,3|C<3>,3|C<4>}	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C){1|N<4>,1|O<2>,3|C<3>}	112.9660	0.000	1	112.9660	0.000	1	112.9660	0.000	1	112.9660	0.000	1	114.3633	1.367	6	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5]	Si[5,5]	N[5]	5:2:4:	4:4:3:2:2:	3:3:	Si[5,5]-5:N[5]-2:C-4:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5]-3:C[5]-3:	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<4>,1|O<2>}	115.3580	0.000	1	115.3580	0.000	1	115.3580	0.000	1	115.3580	0.000	1	114.3633	1.367	6	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5]	Si[5,5]	N[5]	5:4:2:	3:3:2:2:4:	3:3:	Si[5,5]-5:C-4:N[5]-2:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	N[5]-3:C[5]-3:	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5])	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	115.4360	0.000	1	115.4360	0.000	1	115.3120	0.031	2	115.3120	0.031	2	114.3633	1.367	6	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5]	Si[5,5]	N[5]	5:4:2:	3:3:2:2:4:	3:3:	Si[5,5]-5:C-4:N[5]-2:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:C-4:	N[5]-3:C[5]-3:	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5])	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3)	N[5](N[5]Si[5,5]C)(C[5]O[5]C)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(CH3){2|C<4>}	N[5](N[5]Si[5,5]C)(C[5]O[5]C){1|C<4>,1|N<3>,1|O<2>}	115.1880	0.000	1	115.1880	0.000	1	115.3120	0.031	2	115.3120	0.031	2	114.3633	1.367	6	113.5959	1.428	17
542	931	960	5:SP2_SP2_SPD5	N[5]	Si[5,6]	N[5]	5:2:3:	3:3:3:2:1:	3:3:	Si[5,6]-5:N[5]-2:C-3:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:C[5]-3:	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])(H)	N[5](N[5]Si[5,6]C)(C[5]O[5]C)	N[5](Si[5,6]N[6]2O[5]H)(N[5]C[5])(CCO){1|C<4>,4|C<3>}	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])(H){3|C<4>,5|C<3>}	N[5](N[5]Si[5,6]C)(C[5]O[5]C){1|H<1>,2|N<3>}	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.5959	1.428	17
542	939	955	5:SP2_SP2_SP3	N[5]	Ge[5,5]	P[5]	3:4:4:	4:3:3:	3:3:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	Ge[5,5,6]-4:N[5]-3:N[5]-3:	C[5,6]-3:N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3)	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2	P[5](C[5,6]Ge[5,5,6]P[6])(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[5,6]C[6a]2)(SiC3){1|Si<4>,3|P<4>,5|C<3>}	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2{1|P<3>,1|P<4>,7|C<3>}	P[5](C[5,6]Ge[5,5,6]P[6])(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2{1|Ge<2>,1|N<3>,1|P<4>,4|H<1>,7|C<3>}	125.0980	0.000	1	125.0980	0.000	1	125.0980	0.000	1	125.2798	1.459	4	125.2798	1.459	4	127.0591	5.666	7
542	939	955	5:SP2_SP2_SP3	N[5]	Ge[5,5]	P[5]	3:4:4:	4:3:3:	3:3:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	Ge[5,5,6]-4:N[5]-3:N[5]-3:	C[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3)	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2	P[5](C[5]Ge[5,5,6]P)(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2	N[5](Ge[5,5]Ge[5,5,6]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	Ge[5,5](Ge[5,5,6]C[5,6]C[5]P[6])(N[5]P[5]Si)2{1|P<3>,1|P<4>,7|C<3>}	P[5](C[5]Ge[5,5,6]P)(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2{1|N<3>,1|P<4>,4|H<1>,5|C<3>}	124.8850	0.000	1	124.8850	0.000	1	124.8850	0.000	1	125.2798	1.459	4	125.2798	1.459	4	127.0591	5.666	7
542	939	955	5:SP2_SP2_SP3	N[5]	Ge[5,5]	P[5]	3:4:4:	4:3:3:	3:3:3:3:	Ge[5,5]-3:P[5]-4:Si-4:	Ge[5,5]-4:N[5]-3:N[5]-3:	N[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3)	Ge[5,5](Ge[5,5]C[5]2P)(N[5]P[5]Si)2	P[5](N[5]Ge[5,5]Si)(C[5]Ge[5,5]P)(C[6a]C[6a]2)2	N[5](Ge[5,5]Ge[5,5]N[5])(P[5]C[6a]2C[5])(SiC3){1|Si<4>,1|P<3>,2|P<4>,5|C<3>}	Ge[5,5](Ge[5,5]C[5]2P)(N[5]P[5]Si)2{2|P<3>,4|C<3>}	P[5](N[5]Ge[5,5]Si)(C[5]Ge[5,5]P)(C[6a]C[6a]2)2{1|N<3>,1|P<4>,4|H<1>,5|C<3>}	125.5680	2.005	2	125.5680	4.021	2	125.5680	4.021	2	125.2798	1.459	4	125.2798	1.459	4	127.0591	5.666	7
542	939	955	5:SP2_SP2_SP3	N[5]	Ge[5]	P[5]	4:3:3:	4:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:Ge[5]-3:	P[5]-4:N[5]-3:Cl-1:	Ge[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Ge<3>,2|C<4>,8|C<3>}	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Ge<3>,8|C<3>}	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2{1|Cl<1>,2|P<4>,4|H<1>,8|C<3>}	129.3070	0.000	1	129.3070	0.000	1	129.3070	0.000	1	129.4317	0.033	3	129.4317	0.033	3	127.0591	5.666	7
542	939	955	5:SP2_SP2_SP3	N[5]	Ge[5]	P[5]	4:3:3:	4:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:Ge[5]-3:	P[5]-4:N[5]-3:Cl-1:	N[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl)	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl)	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Cl<1>,2|C<4>,8|C<3>}	Ge[5](P[5]C[6a]2Ge[5])(N[5]C[6a]P[5])(Cl){1|Cl<1>,8|C<3>}	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl){1|Cl<1>,4|H<1>,8|C<3>}	129.4940	0.205	2	129.4940	0.042	2	129.4940	0.042	2	129.4317	0.033	3	129.4317	0.033	3	127.0591	5.666	7
542	941	955	0:SP2_SP2_SP3	N[5]	N	P[5]	4:4:2:	3:2:	3:3:4:3:	B[5]-4:P[5]-4:N-2:	N[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NN)	N(N[5]B[5]P[5])(NC[6a])	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]N)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NN){1|C<4>,3|H<1>,8|C<3>}	N(N[5]B[5]P[5])(NC[6a])	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]N){2|H<1>,4|F<1>,6|C<3>}	119.3480	0.000	1	119.3480	0.000	1	116.3430	18.060	2	116.3430	18.060	2	116.3430	18.060	2	116.3430	18.060	2
542	941	955	0:SP2_SP2_SP3	N[5]	N	P[5]	4:4:2:	3:2:	3:3:4:3:	B[5]-4:P[5]-4:N-2:	N[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NN)	N(N[5]B[5]P[5])(NC[6a])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]N)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(NN){4|H<1>,8|C<3>}	N(N[5]B[5]P[5])(NC[6a])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]N){2|H<1>,4|C<4>,6|C<3>}	113.3380	0.000	1	113.3380	0.000	1	116.3430	18.060	2	116.3430	18.060	2	116.3430	18.060	2	116.3430	18.060	2
542	941	960	0:SP2_SP2_SP2	N[5]	N	N[5]	2:2:2:	3:1:	3:3:	N[5]-2:N[5]-2:N-2:	N[5]-3:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NH)	N(N[5]N[5]2)(H)	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NH){1|Mn<6>,1|H<1>}	N(N[5]N[5]2)(H)	N[5](C[5]N[5]H)(N[5]N[5]N){1|Mn<6>}	121.6020	0.000	1	121.6020	0.000	1	121.6020	0.000	1	122.1255	0.548	2	118.2164	13.274	17	118.2164	13.274	17
542	941	960	0:SP2_SP2_SP2	N[5]	N	N[5]	2:2:2:	3:1:	3:3:	N[5]-2:N[5]-2:N-2:	N[5]-3:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NH)	N(N[5]N[5]2)(H)	N[5](N[5]C[5]Mn)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NH){1|Mn<6>,1|H<1>}	N(N[5]N[5]2)(H)	N[5](N[5]C[5]Mn)(N[5]N[5]N){1|H<1>}	122.6490	0.000	1	122.6490	0.000	1	122.6490	0.000	1	122.1255	0.548	2	118.2164	13.274	17	118.2164	13.274	17
542	941	960	0:SP2_SP2_SP2	N[5]	N	N[5]	2:2:2:	3:3:	3:3:	C[5]-2:N[5]-2:N-2:	N[5]-3:N-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5])(N[5]N[5])(NN)	N(N[5]C[5]N[5])(NOO)	N[5](N[5]C[5]N)2	N[5](C[5]C[5])(N[5]N[5])(NN){1|H<1>,1|N<2>}	N(N[5]C[5]N[5])(NOO)	N[5](N[5]C[5]N)2{1|H<1>}	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	118.2164	13.274	17	118.2164	13.274	17
542	941	960	0:SP2_SP2_SP2	N[5]	N	N[5]	3:2:2:	3:3:	3:2:	N[5]-3:N[5]-2:N-2:	N[5]-3:N-3:	N[5]-3:N[5]-2:	N[5](N[5]N[5]H)(N[5]N[5])(NN)	N(N[5]N[5]2)(NOO)	N[5](N[5]N[5]N)(N[5]N[5])	N[5](N[5]N[5]H)(N[5]N[5])(NN)	N(N[5]N[5]2)(NOO)	N[5](N[5]N[5]N)(N[5]N[5]){1|H<1>}	120.1096	0.736	5	120.1096	0.542	5	120.1096	0.542	5	120.1096	0.542	5	118.2164	13.274	17	118.2164	13.274	17
542	941	960	0:SP2_SP2_SP2	N[5]	N	N[5]	3:2:2:	3:3:	3:3:	C[5]-3:N[5]-2:N-2:	N[5]-3:N-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(NN)	N(N[5]C[5]N[5])(NOO)	N[5](N[5]C[5]N)2	N[5](C[5]C[5]H)(N[5]N[5])(NN){1|H<1>,1|N<2>}	N(N[5]C[5]N[5])(NOO)	N[5](N[5]C[5]N)2{2|H<1>}	117.3929	3.741	8	116.9502	14.009	9	116.9502	14.009	9	116.9502	14.009	9	118.2164	13.274	17	118.2164	13.274	17
542	941	960	0:SP2_SP2_SP2	N[5]	N	N[5]	3:2:2:	3:3:	3:3:	C[5]-3:N[5]-2:N-2:	N[5]-3:N-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(NN)	N(N[5]C[5]N[5])(NOO)	N[5](N[5]C[5]N)2	N[5](C[5]C[5]H)(N[5]N[5])(NN){1|N<2>}	N(N[5]C[5]N[5])(NOO)	N[5](N[5]C[5]N)2{1|H<1>}	113.4090	0.000	1	116.9502	14.009	9	116.9502	14.009	9	116.9502	14.009	9	118.2164	13.274	17	118.2164	13.274	17
542	944	959	0:SP2_SP-NON_SP3	N[5]	I	S[5]	4:3:1:	3:	3:3:1:1:	S[5]-4:C[5]-3:I-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(I)	I(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]I)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(I){2|C<3>}	I(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]I)(O)2{1|H<1>,1|O<1>,2|C<3>}	120.9496	2.459	9	120.9496	6.047	9	120.9496	6.047	9	120.9496	6.047	9	120.9496	6.047	9	120.9496	6.047	9
542	945	960	0:SP2_SP2_SP3	N[5]	P	N[5]	2:2:3:	3:4:4:	3:3:	C[5]-2:N[5]-2:P-3:	N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:	N[5](C[5]N[5])(N[5]C[5])(PCC)	P(N[5]C[5]N[5])(CC3)2	N[5](C[5]C[6a]N[5])(N[5]C[5]P)	N[5](C[5]N[5])(N[5]C[5])(PCC){1|C<3>,1|C<4>}	P(N[5]C[5]N[5])(CC3)2	N[5](C[5]C[6a]N[5])(N[5]C[5]P){1|C<4>,2|C<3>}	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1
542	946	951	0:SP2_SP-NON_SP1	N[5]	Ge[5]	H	3:2:1:	3:3:	3:	C[5,6a]-3:Ge[5]-2:H-1:	N[5]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H)	Ge[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)	H(N[5]C[5,6a]Ge[5])	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	Ge[5](N[5]C[5,6a]C)(N[5]C[5,6a]H){2|C<3>}	H(N[5]C[5,6a]Ge[5])	122.0529	0.199	7	122.0529	0.040	7	122.0529	0.040	7	122.0529	0.040	7	122.0529	0.040	7	122.0529	0.040	7
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5,5]	4:4:1:	3:	3:3:3:3:	C[5]-4:P[5,5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]2C[5])(P[5,5]N[5]3)(H)	H(N[5]P[5,5]C[5])	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2	N[5](C[5]C[6a]2C[5])(P[5,5]N[5]3)(H){2|H<1>,4|C<3>,5|C<4>}	H(N[5]P[5,5]C[5])	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5,6]	3:4:1:	3:	3:3:2:2:	C[5,6a]-3:P[5,6]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:N[6]-2:N[6]-2:	N[5](C[5,6a]C[6a,6a]C[5,6a])(P[5,6]N[5]N[6]2)(H)	H(N[5]C[5,6a]P[5,6])	P[5,6](N[5]C[5,6a]H)2(N[6]P[6])2	N[5](C[5,6a]C[6a,6a]C[5,6a])(P[5,6]N[5]N[6]2)(H){1|H<1>,2|P<4>,3|C<3>}	H(N[5]C[5,6a]P[5,6])	P[5,6](N[5]C[5,6a]H)2(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>}	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	123.1288	2.982	13	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	2:2:3:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[6]-2:N[6]-2:N[5]-3:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[5]CH)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[5]CH)(H){2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,3|H<1>}	124.1110	1.319	2	124.1110	1.741	2	124.0113	0.669	4	124.0113	0.669	4	123.1288	2.982	13	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	2:2:3:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[6]-2:N[6]-2:N[5]-3:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H){2|C<3>,2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|N<2>,2|N<3>,2|O<2>,3|H<1>}	123.9115	0.476	2	123.9115	0.226	2	124.0113	0.669	4	124.0113	0.669	4	123.1288	2.982	13	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	2:3:2:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[6]-2:N[5]-3:N[6]-2:S[5]-2:	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])(N[5]C[5]H)(N[6]P[6])(S[5]C[5])	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H){2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])(N[5]C[5]H)(N[6]P[6])(S[5]C[5]){2|Cl<1>,1|N<2>,1|N<3>,1|S<2>,4|H<1>}	122.0110	1.897	5	122.0110	3.597	5	122.0110	3.597	5	122.0110	3.597	5	123.1288	2.982	13	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	3:2:2:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(H){2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5]){3|Cl<1>,1|N<2>,1|O<2>,4|H<1>}	123.8170	0.000	1	123.8170	0.000	1	122.9835	1.389	2	123.9927	3.750	3	123.1288	2.982	13	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	3:2:2:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H){2|C<3>,2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5]){4|Cl<1>,1|C<3>,1|N<2>,3|H<1>}	122.1500	0.000	1	122.1500	0.000	1	122.9835	1.389	2	123.9927	3.750	3	123.1288	2.982	13	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	3:2:2:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[5]-3:N[6]-2:N[6]-2:S[5]-2:	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)(N[6]P[6])2(S[5]C[5])	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H){2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)(N[6]P[6])2(S[5]C[5]){4|Cl<1>,1|N<2>,4|H<1>}	126.0110	0.000	1	126.0110	0.000	1	126.0110	0.000	1	123.9927	3.750	3	123.1288	2.982	13	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5]	3:4:1:	3:	3:3:1:1:	C[5,6a]-3:P[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:S-1:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H)	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)2(S)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)2(S)2{2|C<3>}	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	121.4540	7.895	10	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5]	3:4:1:	3:	3:3:2:1:	C[5,6a]-3:P[5]-4:H-1:	N[5]-3:	N[5]-3:C[6a]-3:S[5]-2:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]S[5]Se)(H)	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])(Se)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]S[5]Se)(H){1|H<1>,4|C<3>}	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])(Se){2|H<1>,4|C<3>}	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	121.4540	7.895	10	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5]	3:4:1:	3:	3:3:3:1:	C[5,6a]-3:P[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:N-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]NO)(H)	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)2(NC[6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]NO)(H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)2(NC[6a]H)(O){2|C<3>}	123.7600	0.016	2	123.7600	0.000	2	123.7600	0.000	2	123.7600	0.000	2	121.4540	7.895	10	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5]	4:3:1:	3:	3:3:2:1:	P[5]-4:C[5]-3:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-2:O-1:	N[5](P[5]C[5,6a]OO)(C[5]C[5,6a]O)(H)	H(N[5]C[5]P[5])	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OC)(O)	N[5](P[5]C[5,6a]OO)(C[5]C[5,6a]O)(H){2|C<3>}	H(N[5]C[5]P[5])	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OC)(O){1|C<4>,1|O<1>,2|C<3>}	118.4515	5.427	2	118.4515	29.453	2	118.4515	29.453	2	118.4515	29.453	2	121.4540	7.895	10	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5]	4:3:1:	3:	3:3:3:1:	P[5]-4:C[5]-3:H-1:	N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-1:	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H)	H(N[5]C[5]P[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(O)	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H){4|C<3>}	H(N[5]C[5]P[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(O){1|O<1>,3|H<1>,4|C<3>}	122.0140	0.000	1	122.0140	0.000	1	122.0140	0.000	1	122.0140	0.000	1	121.4540	7.895	10	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5]	4:4:1:	3:	3:2:4:4:	C[5,5]-4:P[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:B-4:C-4:	N[5](C[5,5]C[5,6a]C[5,5]H)(P[5]O[5]BC)(H)	H(N[5]C[5,5]P[5])	P[5](N[5]C[5,5]H)(O[5]C[5,5])(BH3)(CC3)	N[5](C[5,5]C[5,6a]C[5,5]H)(P[5]O[5]BC)(H){1|C<4>,1|H<1>,2|C<3>}	H(N[5]C[5,5]P[5])	P[5](N[5]C[5,5]H)(O[5]C[5,5])(BH3)(CC3){1|C<3>,1|C<4>,2|H<1>}	124.2810	0.000	1	124.2810	0.000	1	124.2810	0.000	1	124.2810	0.000	1	121.4540	7.895	10	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5]	4:4:1:	3:	3:3:3:3:	B[5]-4:P[5]-4:H-1:	N[5]-3:	C[5,5a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]N[5,5a]C[6a]2)(P[5]C[5,5a]C[6a]2)(H)	H(N[5]B[5]P[5])	P[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2(N[5]B[5]H)	N[5](B[5]N[5,5a]C[6a]2)(P[5]C[5,5a]C[6a]2)(H){1|N<2>,9|C<3>}	H(N[5]B[5]P[5])	P[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2(N[5]B[5]H){2|N<2>,4|H<1>,7|C<3>}	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	121.4540	7.895	10	122.2718	5.732	24
542	951	955	0:SP2_SP-NON_SP3	N[5]	H	P[5]	4:4:1:	3:	3:3:4:3:	B[5]-4:P[5]-4:H-1:	N[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(H)	H(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]H)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(H){4|H<1>,8|C<3>}	H(N[5]B[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]H){2|H<1>,4|C<4>,6|C<3>}	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	121.4540	7.895	10	122.2718	5.732	24
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5,5]	4:4:1:	3:	3:3:3:3:	C[5]-4:P[5,5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]2C[5])(P[5,5]N[5]3)(H)	H(N[5]P[5,5]C[5])	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2	N[5](C[5]C[6a]2C[5])(P[5,5]N[5]3)(H){2|H<1>,4|C<3>,5|C<4>}	H(N[5]P[5,5]C[5])	P[5,5](N[5]C[5]C)2(N[5]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	121.9763	1.938	3	121.9763	3.756	3	121.9763	3.756	3	121.9763	3.756	3	121.9763	3.756	3	121.0331	8.652	12
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	2:2:3:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[6]-2:N[6]-2:N[5]-3:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[5]CH)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[5]CH)(H){2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,3|H<1>}	122.4770	0.000	1	122.4770	0.000	1	124.0895	5.200	2	124.0895	5.200	2	120.8475	12.742	6	121.0331	8.652	12
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	2:2:3:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[6]-2:N[6]-2:N[5]-3:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H){2|C<3>,2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|N<2>,2|N<3>,2|O<2>,3|H<1>}	125.7020	0.000	1	125.7020	0.000	1	124.0895	5.200	2	124.0895	5.200	2	120.8475	12.742	6	121.0331	8.652	12
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	2:3:2:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[6]-2:N[5]-3:N[6]-2:S[5]-2:	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])(N[5]C[5]H)(N[6]P[6])(S[5]C[5])	N[5](P[5,6]N[6]2S[5])(C[5]C[5]HH)(H){2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[6]P[5,6])(N[5]C[5]H)(N[6]P[6])(S[5]C[5]){2|Cl<1>,1|N<2>,1|N<3>,1|S<2>,4|H<1>}	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	120.8475	12.742	6	121.0331	8.652	12
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	3:2:2:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5])	N[5](P[5,6]N[6]2O[5])(C[5]C[6a]C[5]H)(H){2|C<3>,2|H<1>,2|P<4>}	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5]){4|Cl<1>,1|C<3>,1|N<2>,3|H<1>}	122.8990	0.000	1	122.8990	0.000	1	122.8990	0.000	1	122.8990	0.000	1	120.8475	12.742	6	121.0331	8.652	12
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5,6]	4:4:1:	3:	3:3:2:2:	P[5,6]-4:C[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:N[6]-2:N[6]-2:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(H)	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)2(N[6]P[6])2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(H){2|P<4>,3|H<1>}	H(N[5]P[5,6]C[5])	P[5,6](N[5]C[5]H)2(N[6]P[6])2{1|N<2>,4|H<1>,4|O<2>}	116.9070	1.341	2	116.9070	1.797	2	116.9070	1.797	2	116.9070	1.797	2	120.8475	12.742	6	121.0331	8.652	12
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5]	3:4:1:	3:	3:3:1:1:	C[5,6a]-3:P[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:S-1:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H)	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)2(S)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)2(S)2{2|C<3>}	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	120.4610	10.046	3	121.0331	8.652	12
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5]	3:4:1:	3:	3:3:3:1:	C[5,6a]-3:P[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(H)	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(H){1|H<1>,5|C<3>}	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)(Se){2|H<1>,6|C<3>}	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	120.4610	10.046	3	121.0331	8.652	12
542	951	955	0:SP3_SP-NON_SP3	N[5]	H	P[5]	4:4:1:	3:	3:2:3:1:	C[5]-4:P[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:N-3:O-1:	N[5](C[5]C[5]CH)(P[5]O[5]NO)(H)	H(N[5]C[5]P[5])	P[5](N[5]C[5]H)(O[5]C[5])(NCC)(O)	N[5](C[5]C[5]CH)(P[5]O[5]NO)(H){2|H<1>}	H(N[5]C[5]P[5])	P[5](N[5]C[5]H)(O[5]C[5])(NCC)(O){1|C<4>,3|H<1>}	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	120.4610	10.046	3	121.0331	8.652	12
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	3:4:1:	3:	3:2:1:1:	C[5,6a]-3:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-2:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)(H)	H(N[5]C[5,6a]S[5])	S[5](N[5]C[5,6a]H)(N[5]C[5,6a])(O)2	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)(H){3|C<3>}	H(N[5]C[5,6a]S[5])	S[5](N[5]C[5,6a]H)(N[5]C[5,6a])(O)2{2|C<3>}	122.1270	0.000	1	122.1270	0.000	1	123.6790	4.817	2	123.6790	4.817	2	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	3:4:1:	3:	3:2:1:1:	C[5,6a]-3:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-2:O-1:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)(H)	H(N[5]C[5,6a]S[5])	S[5](N[5]C[5,6a]H)(N[5]C[5,6a])(O)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)(H){3|C<3>}	H(N[5]C[5,6a]S[5])	S[5](N[5]C[5,6a]H)(N[5]C[5,6a])(O)2{2|C<3>}	125.2310	0.000	1	125.2310	0.000	1	123.6790	4.817	2	123.6790	4.817	2	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:3:1:	3:	3:3:1:1:	S[5]-4:C[5]-3:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(H){2|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,2|C<3>}	124.8910	0.057	2	124.8910	0.003	2	121.7638	7.649	27	121.7638	7.649	27	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:3:1:	3:	3:3:1:1:	S[5]-4:C[5]-3:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(H){2|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|H<1>,1|O<1>,2|C<3>}	121.5136	2.721	25	121.5136	7.406	25	121.7638	7.649	27	121.7638	7.649	27	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-2:O-1:O-1:	N[5](C[5]C[6a]2C[5])(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(N[5]C[5])(O)2	N[5](C[5]C[6a]2C[5])(S[5]N[5]OO)(H){5|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(N[5]C[5])(O)2{3|C<3>}	124.5960	0.239	2	124.5960	0.057	2	124.5960	0.057	2	125.1222	2.174	5	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|C<4>,1|H<1>,2|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	123.7520	0.000	1	125.4730	3.859	3	125.4730	3.859	3	125.1222	2.174	5	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|H<1>,1|P<4>,2|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|P<4>,2|H<1>}	127.6130	0.000	1	125.4730	3.859	3	125.4730	3.859	3	125.1222	2.174	5	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|H<1>,3|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{2|C<3>,2|H<1>}	125.0540	0.000	1	125.4730	3.859	3	125.4730	3.859	3	125.1222	2.174	5	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,1|H<1>,5|C<3>}	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	122.0270	0.000	1	123.2013	1.036	4	123.2013	1.036	4	122.9148	0.895	9	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){6|C<3>}	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|H<1>,4|C<3>}	123.5927	0.797	3	123.2013	1.036	4	123.2013	1.036	4	122.9148	0.895	9	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){2|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	121.4120	0.000	1	121.4120	0.000	1	122.0797	0.343	3	122.9148	0.895	9	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(H){1|C<4>,1|F<1>,3|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	122.3180	0.000	1	122.3180	0.000	1	122.0797	0.343	3	122.9148	0.895	9	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(H){4|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	122.5090	0.000	1	122.5090	0.000	1	122.0797	0.343	3	122.9148	0.895	9	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[6a]2C[5])(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](C[5]C[6a]2C[5])(S[5]N[5]OO)(H){1|C<4>,1|O<1>,4|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|O<1>,2|C<3>}	123.4980	0.000	1	123.4980	0.000	1	123.5945	0.019	2	122.9148	0.895	9	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[6a]C[5]C[6])(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](C[5]C[6a]C[5]C[6])(S[5]N[5]OO)(H){1|C<2>,1|C<4>,1|O<1>,3|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|O<1>,2|C<3>}	123.6910	0.000	1	123.6910	0.000	1	123.5945	0.019	2	122.9148	0.895	9	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP2_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	4:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,5]C[5]H)(S[5]C[5]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,5]C[5]H)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,4|H<1>}	H(N[5]C[5,5]S[5])	S[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O)2{1|C<3>,1|C<4>,2|H<1>}	125.1340	0.000	1	125.1340	0.000	1	125.1340	0.000	1	125.1340	0.000	1	122.5445	6.505	44	122.5445	6.505	44
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(N[5]C[5])(O)2	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H){1|N<3>,2|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(N[5]C[5])(O)2{1|C<3>,1|H<1>,1|N<3>}	124.9200	0.000	1	124.9200	0.000	1	124.9200	0.000	1	119.9787	68.501	10	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[5]CC)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[5]CC)(S[5]O[5]OO)(H){2|H<1>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	112.3185	5.468	2	112.3185	29.900	2	119.4297	73.672	9	119.9787	68.501	10	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[5]CH)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[5]CH)(S[5]O[5]OO)(H){1|C<3>,1|H<1>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	126.6150	0.000	1	126.5597	0.191	3	119.4297	73.672	9	119.9787	68.501	10	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[5]CH)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[5]CH)(S[5]O[5]OO)(H){1|H<1>,1|P<4>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<4>,1|P<4>,2|H<1>}	126.5320	0.614	2	126.5597	0.191	3	119.4297	73.672	9	119.9787	68.501	10	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]2C[5])(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[6a]2C[5])(S[5]O[5]OO)(H){2|H<1>,4|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{2|C<3>,2|H<1>}	109.0520	0.000	1	109.0520	0.000	1	119.4297	73.672	9	119.9787	68.501	10	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]C)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[6a]C[5]C)(S[5]O[5]OO)(H){2|C<3>,2|H<1>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	109.1220	0.000	1	109.1220	0.000	1	119.4297	73.672	9	119.9787	68.501	10	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|H<1>,1|P<4>,2|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|P<4>,2|H<1>}	125.9230	0.000	1	126.1885	0.141	2	119.4297	73.672	9	119.9787	68.501	10	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:2:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:O[5]-2:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(H){1|H<1>,3|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)(O[5]C[5])(O)2{2|C<3>,2|H<1>}	126.4540	0.000	1	126.1885	0.141	2	119.4297	73.672	9	119.9787	68.501	10	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,1|H<1>,5|C<3>}	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	122.2860	0.957	2	117.0158	57.542	5	116.6395	43.763	8	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,2|H<1>,4|C<3>}	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	122.3660	0.000	1	117.0158	57.542	5	116.6395	43.763	8	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|H<1>,6|C<3>}	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	109.0705	4.338	2	117.0158	57.542	5	116.6395	43.763	8	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]2N[5])(S[5]C[5,6a]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,6a]2N[5])(S[5]C[5,6a]OO)(H){6|C<3>}	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|H<1>,1|N<3>,3|C<3>}	111.8450	0.000	1	111.8450	0.000	1	116.6395	43.763	8	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(S[5]C[5,6a]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(S[5]C[5,6a]OO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	113.1850	0.000	1	113.1850	0.000	1	116.6395	43.763	8	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5,6a]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5,6a]OO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|F<1>}	H(N[5]C[5,5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	123.0070	0.000	1	123.0070	0.000	1	116.6395	43.763	8	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){2|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<2>,1|H<1>,3|C<3>}	123.6870	0.000	1	118.0983	64.347	3	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){2|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	121.7010	0.000	1	118.0983	64.347	3	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){2|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|H<1>,2|C<3>,2|C<4>}	108.9070	0.000	1	118.0983	64.347	3	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){2|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O)2{1|C<4>,4|C<3>}	108.2930	0.000	1	108.2930	0.000	1	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H){2|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,2|C<3>,2|H<1>}	112.6770	2.932	3	112.6770	8.596	3	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[5]H)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]C[5]H)(S[5]C[5,6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,2|C<3>,2|H<1>}	105.8720	0.000	1	105.8720	0.000	1	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[5a]C)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]C[5a]C)(S[5]C[5,6a]OO)(H){4|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|H<1>,4|C<3>}	108.6120	0.457	2	108.6120	0.209	2	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]2)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]C[6a]2)(S[5]C[5,6a]OO)(H){6|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|H<1>,4|C<3>}	111.3865	2.196	2	111.3865	4.821	2	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(H)	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(H){4|C<3>}	H(N[5]C[5]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)2{1|C<4>,1|H<1>,3|C<3>}	111.8470	0.000	1	111.8470	0.000	1	112.1796	28.205	13	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5]CH)(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](C[5]C[5]CH)(S[5]N[5]OO)(H){1|C<4>,2|H<1>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|C<3>,3|H<1>}	113.3100	0.000	1	113.3100	0.000	1	110.3930	3.629	6	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5]CH)(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)2(O)2	N[5](C[5]C[5]CH)(S[5]N[5]OO)(H){1|C<3>,2|H<1>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)2(O)2{1|C<3>,1|C<4>,2|H<1>}	111.7330	0.000	1	111.7330	0.000	1	110.3930	3.629	6	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[5a]C[6a]C[5])(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](C[5]C[5a]C[6a]C[5])(S[5]N[5]OO)(H){1|C<4>,1|O<1>,4|C<3>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|O<1>,2|C<3>}	108.7510	0.000	1	108.7510	0.000	1	110.3930	3.629	6	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H){1|H<1>,2|C<3>,2|C<4>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]C)(N[5]C[5]H)(O)2{1|C<3>,1|C<4>,2|H<1>}	108.9195	0.831	2	108.9195	0.690	2	110.3930	3.629	6	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	C[5]-4:S[5]-4:H-1:	N[5]-3:	N[5]-3:N[5]-3:O-1:O-1:	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H)	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)2(O)2	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5]S[5])	S[5](N[5]C[5]H)2(O)2{1|C<3>,1|C<4>,2|H<1>}	110.7250	0.000	1	110.7250	0.000	1	110.3930	3.629	6	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	3:3:1:1:	S[5]-4:S[5]-4:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)2(H)	H(N[5]S[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)2	N[5](S[5]C[5,6a]OO)2(H){2|C<3>}	H(N[5]S[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)2{1|H<1>,2|C<3>,2|O<1>}	111.4385	4.226	2	111.4385	17.862	2	111.4385	17.862	2	112.9892	30.042	29	115.0104	48.791	40	115.0104	48.791	40
542	951	959	0:SP3_SP-NON_SP3	N[5]	H	S[5]	4:4:1:	3:	4:3:1:1:	C[5,5]-4:S[5]-4:H-1:	N[5]-3:	C[5]-4:N[5]-3:O-1:O-1:	N[5](C[5,5]C[5,5]C[5]H)(S[5]C[5]OO)(H)	H(N[5]C[5,5]S[5])	S[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O)2	N[5](C[5,5]C[5,5]C[5]H)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,4|H<1>}	H(N[5]C[5,5]S[5])	S[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O)2{1|C<3>,1|C<4>,2|H<1>}	123.9450	0.000	1	123.9450	0.000	1	123.9450	0.000	1	123.9450	0.000	1	115.0104	48.791	40	115.0104	48.791	40
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]C[6]N[5])(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5])(H){1|Cu<4>,1|C<3>,1|N<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|C<3>}	123.7603	1.303	3	123.7603	1.698	3	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(H){1|H<1>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){2|H<1>}	121.3820	0.503	2	123.3717	5.366	4	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(H){1|Pd<4>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|Pd<4>,1|H<1>}	125.3615	0.090	2	123.3717	5.366	4	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|C<4>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<2>}	122.7725	2.855	4	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|C<4>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<3>}	124.6640	0.000	1	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|Co<6>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|Co<6>,1|N<3>}	125.1710	0.000	1	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|Cu<6>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|Cu<6>,1|N<3>}	124.9590	0.000	1	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|Fe<6>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|Fe<6>,1|N<3>}	119.5990	0.000	1	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|H<1>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|H<1>,1|N<2>}	118.1355	2.695	2	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|H<1>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|H<1>,1|N<3>}	124.3524	2.028	8	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|Mn<6>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|Mn<6>,1|N<3>}	125.8940	0.000	1	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|N<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){2|N<3>}	122.6347	2.864	6	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|O<2>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|N<2>,1|O<2>}	124.3180	0.000	1	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(H){1|Zn<6>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|Zn<6>,1|N<3>}	118.8560	0.000	1	123.0166	8.256	27	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]S)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]S)(N[5]N[5])(H){1|C<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|C<3>,1|S<1>}	121.9280	0.000	1	122.9130	1.940	2	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5]N[5]S)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5])	N[5](C[5]N[5]S)(N[5]N[5])(H){1|C<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]){1|C<3>,1|S<2>}	123.8980	0.000	1	122.9130	1.940	2	123.1123	6.799	36	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:2:	N[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](N[5]N[5]N)(N[5]N[5])(H)	H(N[5]N[5]2)	N[5](N[5]N[5]H)(N[5]N[5])	N[5](N[5]N[5]N)(N[5]N[5])(H)	H(N[5]N[5]2)	N[5](N[5]N[5]H)(N[5]N[5]){1|N<2>}	125.3574	4.869	5	125.3574	23.707	5	125.3574	23.707	5	123.3861	8.873	41	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]C)(N[5]C[5,6a]H){2|C<3>}	123.5810	0.000	1	123.5810	0.000	1	121.2144	11.579	49	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Co<4>,1|H<1>,2|C<3>}	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H){2|C<3>}	123.9383	0.390	4	123.9766	0.122	5	121.2144	11.579	49	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Co<6>,1|H<1>,2|C<3>}	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H){2|C<3>}	124.1300	0.000	1	123.9766	0.122	5	121.2144	11.579	49	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]H)(N[5]C[5,6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<3>}	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]H)(N[5]C[5,6a]O){2|C<3>}	117.0910	0.000	1	117.0910	0.000	1	121.2144	11.579	49	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]H)2{2|C<3>}	120.2815	3.442	35	120.2815	11.850	35	121.2144	11.579	49	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>}	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H){2|C<3>}	124.4357	0.055	3	124.4357	0.003	3	121.2144	11.579	49	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5,6a]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Zn<4>,1|H<1>,2|C<3>}	H(N[5]C[5,6a]N[5])	N[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H){2|C<3>}	123.9480	0.244	4	123.9480	0.060	4	121.2144	11.579	49	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5,5a]-3:N[5]-3:	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(H)	H(N[5]C[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H)	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(H){1|N<2>,1|N<3>,2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H){1|H<1>,1|N<2>,2|C<3>}	115.4380	0.000	1	115.4380	0.000	1	120.6390	20.298	3	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5,5a]-3:N[5]-3:	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H)	H(N[5]C[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H)	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H){1|N<2>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H){1|C<3>,1|N<2>,2|N<3>}	123.1370	0.000	1	123.2395	0.021	2	120.6390	20.298	3	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5,5a]-3:N[5]-3:	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H)	H(N[5]C[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H)	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H){1|N<2>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5,5a]N[5,5a]N[5a])(N[5]C[5]H){1|C<3>,1|N<3>,2|N<2>}	123.3420	0.000	1	123.2395	0.021	2	120.6390	20.298	3	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H)	H(N[5]C[5]N[5])	N[5](C[5,6]N[5,6]N[6])(N[5]C[5]H)	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H){2|N<2>}	H(N[5]C[5]N[5])	N[5](C[5,6]N[5,6]N[6])(N[5]C[5]H){1|N<2>,2|N<3>}	123.2220	0.000	1	123.2745	0.006	2	123.2745	0.006	2	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5,6]-3:N[5]-3:	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H)	H(N[5]C[5]N[5])	N[5](C[5,6]N[5,6]N[6])(N[5]C[5]H)	N[5](C[5]N[5,6]N)(N[5]C[5,6])(H){2|N<2>}	H(N[5]C[5]N[5])	N[5](C[5,6]N[5,6]N[6])(N[5]C[5]H){1|N<3>,2|N<2>}	123.3270	0.000	1	123.2745	0.006	2	123.2745	0.006	2	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](C[5]N[5,6a]N)(N[5]C[5,6a])(H)	H(N[5]C[5]N[5])	N[5](C[5,6a]N[5,6a]N[6a])(N[5]C[5]H)	N[5](C[5]N[5,6a]N)(N[5]C[5,6a])(H){2|N<2>}	H(N[5]C[5]N[5])	N[5](C[5,6a]N[5,6a]N[6a])(N[5]C[5]H){3|N<2>}	122.6885	0.059	2	122.6885	0.003	2	122.6885	0.003	2	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5,5]C)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(N[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>}	H(N[5]C[5]N[5])	N[5](C[5]C[5,5]C)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>}	122.9660	0.000	1	122.9660	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H){1|C<4>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H){1|N<2>,1|O<1>}	119.8155	5.041	2	119.8155	25.411	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]N)(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H){1|N<2>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]N)(N[5]C[5]H){1|N<2>,1|O<1>}	120.1910	1.940	3	120.4975	2.885	4	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]N)(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H){1|N<3>,2|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]N)(N[5]C[5]H){1|O<1>,2|C<4>}	121.4170	0.000	1	120.4975	2.885	4	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]O)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[5]O)(N[5]C[5])(H){1|C<3>,2|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|C<3>,2|C<4>}	123.3090	0.000	1	123.3090	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|Fe<6>,1|C<3>,2|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Fe<6>,1|N<3>,2|C<3>}	124.3330	0.000	1	124.1465	0.070	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|Zn<4>,1|C<3>,2|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Zn<4>,1|N<3>,2|C<3>}	123.9600	0.000	1	124.1465	0.070	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|N<3>,3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,3|C<3>}	119.7330	0.000	1	119.7330	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Co<6>,1|N<3>,2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|Co<6>,1|C<3>,2|N<2>}	124.8070	0.000	1	124.6130	0.075	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Zn<4>,1|N<3>,2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|Zn<4>,1|C<3>,2|N<2>}	124.4190	0.000	1	124.6130	0.075	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cu<4>,1|C<3>}	124.6965	0.117	2	125.1857	1.070	4	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Cu<4>,1|C<4>,1|N<2>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cu<4>,1|C<3>}	124.6170	0.000	1	125.1857	1.070	4	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Fe<6>,1|C<3>}	126.7330	0.000	1	125.1857	1.070	4	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Cd<5>,1|N<2>,2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cd<5>,1|N<3>,2|C<3>}	124.3850	0.000	1	122.1418	9.830	5	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Cd<6>,3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cd<6>,1|N<3>,2|C<3>}	124.7390	0.000	1	122.1418	9.830	5	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Zn<4>,3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Zn<4>,1|N<3>,2|C<3>}	120.9215	4.337	2	122.1418	9.830	5	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Zn<6>,3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Zn<6>,1|N<3>,2|C<3>}	119.7420	0.000	1	122.1418	9.830	5	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]C[5])(H){1|Mo<6>,3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|Mo<6>,3|C<3>}	118.6610	0.000	1	118.6610	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]O[5])(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	N[5](C[5]C[6a]O[5])(N[5]C[5])(H){3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H){3|C<3>}	126.6900	0.000	1	126.6900	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|H<1>,1|N<2>,2|C<3>}	124.1190	0.000	1	124.1190	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Co<6>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,1|N<3>}	122.9802	4.965	5	123.8069	6.141	18	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Cu<4>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	124.1697	0.149	4	123.8069	6.141	18	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Cu<4>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<4>,1|C<4>,1|N<2>,1|N<3>}	124.3530	0.000	1	123.8069	6.141	18	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Cu<5>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,1|N<3>}	124.0228	0.462	5	123.8069	6.141	18	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Fe<6>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	124.2030	0.000	1	123.8069	6.141	18	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){1|Ni<6>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	124.1375	0.067	2	123.8069	6.141	18	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,3|C<3>}	119.5220	0.000	1	119.5220	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|H<1>}	121.5583	1.640	4	122.0484	3.230	7	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]C)(N[5]C[5])(H){2|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){2|C<4>}	122.7020	2.130	3	122.0484	3.230	7	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Cd<6>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cd<6>,1|H<1>}	124.3980	0.000	1	124.5590	0.039	3	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Cu<5>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Cu<5>,1|H<1>}	124.6395	0.200	2	124.5590	0.039	3	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Cu<6>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|Cu<6>,1|H<1>}	118.6370	0.000	1	122.9883	4.376	55	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|H<1>,1|N<2>}	124.0144	1.041	13	122.9883	4.376	55	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|H<1>,1|N<3>}	122.0997	2.662	10	122.9883	4.376	55	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Ru<6>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|Ru<6>,1|H<1>}	123.6580	1.117	2	122.9883	4.376	55	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){2|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){2|H<1>}	122.9386	2.042	29	122.9883	4.376	55	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){1|Fe<6>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H){1|Fe<6>,1|H<1>}	117.4975	1.117	2	119.8762	9.972	4	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]H)(N[5]C[5])(H){2|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H){1|H<1>,1|N<3>}	122.2550	2.456	2	119.8762	9.972	4	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,2|N<2>}	122.2650	0.000	1	120.9417	4.166	23	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H){1|H<1>,1|N<3>,2|N<2>}	120.9613	2.700	3	120.9417	4.166	23	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]N[5])(N[5]C[5]H){1|N<2>,3|N<3>}	120.8689	2.044	19	120.9417	4.166	23	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.9080	0.000	1	121.4698	5.245	10	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,2|N<2>}	118.6530	3.444	2	121.4698	5.245	10	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|H<1>,1|N<3>,2|N<2>}	120.9870	0.000	1	121.4698	5.245	10	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<3>,2|N<2>}	120.1940	0.000	1	121.4698	5.245	10	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<2>,2|N<3>}	124.1090	0.000	1	121.4698	5.245	10	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,3|N<3>}	124.3030	0.000	1	121.4698	5.245	10	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|N<2>,3|N<3>}	121.9637	0.922	3	121.4698	5.245	10	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|N<3>,2|N<2>}	123.9750	0.051	2	123.9750	0.003	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<2>}	124.8460	0.000	1	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<3>}	123.7427	1.237	10	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<3>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){2|N<3>}	119.9610	3.950	12	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<4>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<2>}	120.7950	5.446	2	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|C<4>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|N<3>}	121.9597	1.195	3	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|Co<6>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Co<6>,1|N<2>}	121.3430	0.000	1	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|Fe<6>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Fe<6>,1|N<2>}	120.6480	0.000	1	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|Fe<6>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Fe<6>,1|N<3>}	125.5215	1.360	2	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|Ni<6>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|Ni<6>,1|N<3>}	120.9960	0.000	1	121.9183	10.590	33	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|N<2>,1|N<3>}	120.5275	1.804	2	122.9559	5.114	40	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){2|N<2>}	120.7390	0.000	1	122.9559	5.114	40	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){2|N<3>}	121.6947	2.625	14	122.9559	5.114	40	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){2|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|H<1>,1|N<3>}	124.0311	1.366	23	122.9559	5.114	40	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){1|H<1>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H){1|H<1>,1|N<3>}	119.5259	2.268	9	120.4443	6.767	12	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]N)(N[5]C[5])(H){2|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H){2|N<3>}	123.1997	1.209	3	120.4443	6.767	12	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]O)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]O)(N[5]C[5])(H){1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H){1|O<1>}	118.6918	4.315	5	118.6918	18.623	5	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]H){1|C<3>,1|S<1>,3|C<4>}	122.0010	1.816	2	121.6940	3.391	5	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[3x6]N[5])(N[5]C[5]H){1|S<1>,4|C<4>}	121.4893	2.231	3	121.6940	3.391	5	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,1|S<1>}	119.5985	1.333	2	120.7817	2.997	7	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,1|S<2>}	121.0430	0.000	1	120.7817	2.997	7	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	119.5810	0.000	1	120.7817	2.997	7	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|O<2>,1|S<1>,2|C<3>}	121.8837	2.031	3	120.7817	2.997	7	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	123.1435	0.050	2	123.1435	0.003	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	122.1006	1.831	11	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,1|S<1>,2|C<3>}	122.5030	1.302	3	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,1|S<2>,2|C<3>}	123.7000	0.000	1	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	121.1485	0.561	2	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	121.7098	1.363	13	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	121.1350	2.569	7	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|Cu<3>,1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|Cu<3>,1|S<3>,2|C<3>}	118.1250	0.000	1	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	121.5730	0.023	2	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	122.5244	1.070	10	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<2>,3|C<3>}	123.9030	0.000	1	121.9059	2.845	51	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<3>,1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<3>,1|S<1>}	121.1488	1.669	17	121.1772	6.488	82	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|S<1>}	120.7650	0.000	1	121.1772	6.488	82	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<2>,1|S<1>}	121.2704	2.678	47	121.1772	6.488	82	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<3>,1|S<1>}	120.9975	2.217	13	121.1772	6.488	82	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|N<4>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|N<4>,1|S<2>}	112.6470	0.000	1	121.1772	6.488	82	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){2|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]C)(N[5]C[5]H){1|C<4>,1|S<1>}	123.6380	0.228	3	121.1772	6.488	82	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|C<4>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|C<4>,1|S<2>}	119.1945	1.063	2	120.3115	3.101	6	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|H<1>,1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|N<2>,1|S<1>}	119.9483	0.469	3	120.3115	3.101	6	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){2|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]H)(N[5]C[5]H){1|H<1>,1|S<2>}	123.6350	0.000	1	120.3115	3.101	6	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){1|H<1>,1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5]N)(N[5]C[5]H){1|H<1>,1|S<1>}	123.1400	0.000	1	123.1400	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]N[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]N[5a]N[5])(N[5]C[5]H)	N[5](C[5]N[5]S)(N[5]C[5])(H){2|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]N[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,1|S<1>}	118.6060	0.000	1	118.6060	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]O[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]O[5])(N[5]C[5]H)	N[5](C[5]O[5]N)(N[5]C[5])(H){1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]O[5])(N[5]C[5]H){1|C<3>,1|N<2>,1|N<3>}	120.5540	0.000	1	120.5540	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]O[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5a]O[5])(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5a]O[5])(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>}	123.4650	0.000	1	123.4650	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]O[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]O[5])(N[5]C[5]H){1|S<1>,2|C<3>}	121.6552	3.417	5	121.6552	11.677	5	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]O[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]O[5]C)(N[5]C[5]H)	N[5](C[5]O[5]S)(N[5]C[5])(H){1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]O[5]C)(N[5]C[5]H){1|S<1>}	121.9819	2.222	20	121.9819	4.938	20	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]S[5])(N[5]C[5]H)	N[5](C[5]S[5]N)(N[5]C[5])(H){1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]S[5])(N[5]C[5]H){1|N<3>,2|C<3>}	120.1075	1.651	2	120.1075	2.726	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]S[5]C)(N[5]C[5]H)	N[5](C[5]S[5]N)(N[5]C[5])(H){1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]S[5]C)(N[5]C[5]H){1|N<2>}	119.7355	2.214	22	119.7355	4.903	22	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]S[5]N)(N[5]C[5])(H){1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]S[5]H)(N[5]C[5]H){1|N<3>}	118.2200	1.178	2	118.2200	1.388	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]N)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]S[5]S)(N[5]C[5]H)	N[5](C[5]S[5]N)(N[5]C[5])(H){1|S<2>}	H(N[5]C[5]N[5])	N[5](C[5]S[5]S)(N[5]C[5]H){1|N<3>}	118.8240	0.567	2	118.8240	0.322	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]S[5])(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H){1|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]S[5])(N[5]C[5]H){1|S<1>,2|C<3>}	115.4630	0.000	1	115.4630	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]S[5]C)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H){1|C<4>}	H(N[5]C[5]N[5])	N[5](C[5]S[5]C)(N[5]C[5]H){1|S<1>}	120.7150	0.000	1	120.7150	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H){1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]S[5]H)(N[5]C[5]H){1|S<1>}	120.5950	0.000	1	120.5950	0.000	1	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]S[5]N)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H){1|N<2>}	H(N[5]C[5]N[5])	N[5](C[5]S[5]N)(N[5]C[5]H){1|S<1>}	117.5760	4.036	4	118.4062	11.427	6	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]S[5]N)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H){1|N<3>}	H(N[5]C[5]N[5])	N[5](C[5]S[5]N)(N[5]C[5]H){1|S<1>}	120.0665	0.029	2	118.4062	11.427	6	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]S[5]S)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]S[5]S)(N[5]C[5]H)	N[5](C[5]S[5]S)(N[5]C[5])(H){1|S<2>}	H(N[5]C[5]N[5])	N[5](C[5]S[5]S)(N[5]C[5]H){1|S<1>}	117.1180	2.654	2	117.1180	7.046	2	121.7213	6.920	459	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5,6]-3:N[5]-3:	N[5](C[5]C[5,6]H)(N[5]N[5,6])(H)	H(N[5]C[5]N[5])	N[5](N[5,6]C[5,6]2)(N[5]C[5]H)	N[5](C[5]C[5,6]H)(N[5]N[5,6])(H){2|C<4>}	H(N[5]C[5]N[5])	N[5](N[5,6]C[5,6]2)(N[5]C[5]H){2|H<1>,3|C<4>}	123.4620	0.000	1	123.4620	0.000	1	123.4620	0.000	1	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	123.2930	0.000	1	123.2930	0.000	1	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]Li)(N[5]C[5]H)	N[5](C[5]C[5]C)(N[5]N[5])(H){1|Li<5>,1|C<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]Li)(N[5]C[5]H){2|C<3>}	121.8695	2.823	2	121.8695	7.972	2	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]C[5]N)	N[5](C[5]C[5]H)(N[5]N[5])(H){1|H<1>,1|N<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]C[5]N){2|H<1>}	118.1760	0.000	1	118.1760	0.000	1	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[5]H)(N[5]N[5])(H){2|C<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[6a]C[5])(N[5]C[5]H){1|H<1>,3|C<3>}	116.3240	0.000	1	116.3240	0.000	1	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]N[5]Co)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(N[5]N[5])(H){1|Co<6>,2|C<3>}	H(N[5]C[5]N[5])	N[5](N[5]N[5]Co)(N[5]C[5]H){1|C<3>}	124.9150	0.000	1	124.9150	0.000	1	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]C)(N[5]C[5]H){1|C<3>,1|H<1>}	119.4288	2.475	4	119.4288	6.124	4	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]N[5]Re)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(N[5]N[5])(H){1|Re<6>,2|C<3>}	H(N[5]C[5]N[5])	N[5](N[5]N[5]Re)(N[5]C[5]H){1|C<3>}	119.3550	4.278	5	119.3550	18.302	5	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]N)	N[5](C[5]N[5]H)(N[5]N[5])(H){1|N<3>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]N){1|H<1>}	121.4190	0.000	1	121.4190	0.000	1	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]N[5]N)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]C)	N[5](C[5]N[5]N)(N[5]N[5])(H){1|C<4>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]H)(N[5]N[5]C){1|N<3>}	118.8400	0.000	1	118.8400	0.000	1	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	C[5]-3:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5]P[5]C)(N[5]N[5])(H)	H(N[5]C[5]N[5])	N[5](N[5]C[5]P[5])(N[5]C[5]H)	N[5](C[5]P[5]C)(N[5]N[5])(H){1|C<4>}	H(N[5]C[5]N[5])	N[5](N[5]C[5]P[5])(N[5]C[5]H){1|Fe<10>,3|C<4>}	113.4170	0.000	1	113.4170	0.000	1	119.7007	12.168	18	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	3:2:1:	3:	3:3:	P[5]-3:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](P[5]C[3x3,4,3x5,14x6]C[5])(N[5]C[5])(H)	H(N[5]N[5]P[5])	N[5](C[5]C[5]Si)(N[5]P[5]H)	N[5](P[5]C[3x3,4,3x5,14x6]C[5])(N[5]C[5])(H){2|Si<4>,1|H<1>,4|B<6>}	H(N[5]N[5]P[5])	N[5](C[5]C[5]Si)(N[5]P[5]H){1|Si<4>,1|C<5>,1|H<1>}	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.6136	7.614	535	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:2:	C[5,5]-4:N[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5,5]C[5,5]S[5]S)(N[5]N[5])(H)	H(N[5]C[5,5]N[5])	N[5](N[5]C[5,5]H)(N[5]C[5,5])	N[5](C[5,5]C[5,5]S[5]S)(N[5]N[5])(H){1|N<2>,2|C<3>,2|O<1>}	H(N[5]C[5,5]N[5])	N[5](N[5]C[5,5]H)(N[5]C[5,5]){1|S<3>,1|S<4>,2|C<3>}	123.8290	0.000	1	123.8290	0.000	1	123.8290	0.000	1	123.8290	0.000	1	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5,5]-4:N[5]-2:H-1:	N[5]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	H(N[5]C[5,5]N[5])	N[5](N[5]C[5,5]H)(C[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(N[5]C[5,5]N[5])	N[5](N[5]C[5,5]H)(C[5]C[5]C){1|H<1>,3|C<3>}	123.6640	0.000	1	123.6640	0.000	1	124.3866	0.284	5	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5,5]-4:N[5]-2:H-1:	N[5]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	H(N[5]C[5,5]N[5])	N[5](N[5]C[5,5]H)(C[5]C[5]P)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	H(N[5]C[5,5]N[5])	N[5](N[5]C[5,5]H)(C[5]C[5]P){1|H<1>,3|C<3>}	124.4707	0.430	3	124.4707	0.185	3	124.3866	0.284	5	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5,5]-4:N[5]-2:H-1:	N[5]-3:	N[5]-3:C[5]-3:	N[5](C[5,5]C[5]3)(N[5]C[5])(H)	H(N[5]C[5,5]N[5])	N[5](N[5]C[5,5]H)(C[5]C[5]P)	N[5](C[5,5]C[5]3)(N[5]C[5])(H){1|H<1>,1|P<4>,2|O<1>,3|C<3>}	H(N[5]C[5,5]N[5])	N[5](N[5]C[5,5]H)(C[5]C[5]P){1|H<1>,3|C<3>}	124.8570	0.000	1	124.8570	0.000	1	124.3866	0.284	5	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]CC)(N[5]C[5])(H){1|C<3>,2|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	119.8910	0.000	1	119.8910	0.000	1	119.4110	30.596	8	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H){2|C<3>,2|H<1>}	125.0820	0.000	1	124.0240	0.844	3	119.4110	30.596	8	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|H<1>,2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	123.5590	0.000	1	124.0240	0.844	3	119.4110	30.596	8	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5]CH)(N[5]C[5])(H){1|H<1>,2|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]C)(N[5]C[5]H){2|C<3>,2|H<1>}	123.4310	0.000	1	124.0240	0.844	3	119.4110	30.596	8	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CO)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[5]CO)(N[5]C[5])(H){1|C<3>,2|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.8800	0.000	1	110.8800	0.000	1	119.4110	30.596	8	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]C)(N[5]C[5])(H){1|O<1>,3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]2)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>}	124.0370	0.000	1	124.0370	0.000	1	119.4110	30.596	8	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[5]S)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	H(N[5]C[5]N[5])	N[5](C[5]C[5]S)(N[5]C[5]H){1|C<3>,3|H<1>}	114.2040	0.091	2	114.2040	0.008	2	119.4110	30.596	8	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP2_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	Si[5,5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](Si[5,5]C[5,5]C[5]Si)(N[5]C[5])(H)	H(N[5]Si[5,5]N[5])	N[5](C[5]C[5,5]Si)(N[5]Si[5,5]H)	N[5](Si[5,5]C[5,5]C[5]Si)(N[5]C[5])(H){4|Si<4>,2|C<4>}	H(N[5]Si[5,5]N[5])	N[5](C[5]C[5,5]Si)(N[5]Si[5,5]H){2|Si<4>,2|C<4>}	123.4470	0.000	1	123.4470	0.000	1	123.4470	0.000	1	121.4763	22.743	14	121.7371	8.206	591	121.7371	8.206	591
542	951	960	0:SP3_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5,5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])(H)	H(N[5]C[5,5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(N[5]C[5,5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H){1|H<1>,2|C<4>,3|C<3>}	109.2820	0.000	1	111.8065	12.746	2	111.8065	12.746	2	110.4232	13.400	9	110.4232	13.400	9	110.4232	13.400	9
542	951	960	0:SP3_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5,5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])(H)	H(N[5]C[5,5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(N[5]C[5,5]N[5])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H){1|H<1>,2|C<4>,3|C<3>}	114.3310	0.000	1	111.8065	12.746	2	111.8065	12.746	2	110.4232	13.400	9	110.4232	13.400	9	110.4232	13.400	9
542	951	960	0:SP3_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5,6]-4:N[5]-2:H-1:	N[5]-3:	N[5]-3:C[5]-3:	N[5](C[5,6]C[5]C[6]2)(N[5]C[5])(H)	H(N[5]C[5,6]N[5])	N[5](N[5]C[5,6]H)(C[5]C[5]P)	N[5](C[5,6]C[5]C[6]2)(N[5]C[5])(H){1|C<4>,1|O<1>,1|P<4>,2|C<3>,3|H<1>}	H(N[5]C[5,6]N[5])	N[5](N[5]C[5,6]H)(C[5]C[5]P){1|C<4>,1|H<1>,2|C<3>}	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	110.4232	13.400	9	110.4232	13.400	9	110.4232	13.400	9
542	951	960	0:SP3_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){3|C<3>,3|H<1>}	109.1380	0.000	1	109.1380	0.000	1	108.7102	3.318	6	110.4232	13.400	9	110.4232	13.400	9	110.4232	13.400	9
542	951	960	0:SP3_SP-NON_SP2	N[5]	H	N[5]	4:2:1:	3:	3:3:	C[5]-4:N[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H)	H(N[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	H(N[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]H){3|C<3>,3|H<1>}	108.6246	2.023	5	108.6246	4.093	5	108.7102	3.318	6	110.4232	13.400	9	110.4232	13.400	9	110.4232	13.400	9
542	951	976	0:SP2_SP-NON_SP3	N[5]	H	O[5]	3:2:1:	3:	4:3:	C[5]-3:O[5]-2:H-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]O)(O[5]C[5])(H)	H(N[5]C[5]O[5])	O[5](C[5]C[5]HH)(N[5]C[5]H)	N[5](C[5]C[5]O)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	H(N[5]C[5]O[5])	O[5](C[5]C[5]HH)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>}	117.1110	1.988	2	117.1110	3.954	2	117.1110	3.954	2	117.1110	3.954	2	117.1110	3.954	2	117.1110	3.954	2
542	951	976	0:SP3_SP-NON_SP3	N[5]	H	O[5]	4:2:1:	3:	4:3:	C[5]-4:O[5]-2:H-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CH)(O[5]C[5])(H)	H(N[5]C[5]O[5])	O[5](C[5]C[5]CH)(N[5]C[5]H)	N[5](C[5]C[5]CH)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(N[5]C[5]O[5])	O[5](C[5]C[5]CH)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	102.7443	5.956	2	102.7443	35.477	2	103.0755	18.068	3	103.0755	18.068	3	103.0755	18.068	3	103.0755	18.068	3
542	951	976	0:SP3_SP-NON_SP3	N[5]	H	O[5]	4:2:1:	3:	4:3:	C[5]-4:O[5]-2:H-1:	N[5]-3:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)	H(N[5]C[5]O[5])	O[5](C[5]C[5]CO)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	H(N[5]C[5]O[5])	O[5](C[5]C[5]CO)(N[5]C[5]H){1|C<3>,3|H<1>}	103.7380	0.000	1	103.7380	0.000	1	103.0755	18.068	3	103.0755	18.068	3	103.0755	18.068	3	103.0755	18.068	3
542	951	987	0:SP2_SP-NON_SP-NON	N[5]	H	P[5]	3:2:1:	3:	3:3:	C[5,6a]-3:P[5]-2:H-1:	N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H)	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]P[5])	P[5](N[5]C[5,6a]H)2{2|C<3>}	122.4835	0.146	4	122.4835	0.021	4	122.4835	0.021	4	123.2394	2.873	5	123.2394	2.873	5	123.2394	2.873	5
542	951	987	0:SP2_SP-NON_SP-NON	N[5]	H	P[5]	3:2:1:	3:	3:3:	N[5]-3:P[5]-2:H-1:	N[5]-3:	C[5]-3:N[5]-3:	N[5](N[5]C[5]Ni)(P[5]C[5])(H)	H(N[5]N[5]P[5])	P[5](C[5]C[5]C)(N[5]N[5]H)	N[5](N[5]C[5]Ni)(P[5]C[5])(H){2|C<4>}	H(N[5]N[5]P[5])	P[5](C[5]C[5]C)(N[5]N[5]H){1|Ni<4>,1|C<4>}	126.2630	0.000	1	126.2630	0.000	1	126.2630	0.000	1	123.2394	2.873	5	123.2394	2.873	5	123.2394	2.873	5
542	952	955	0:SP3_SP3_SP3	N[5]	S	P[5]	4:4:4:	3:3:1:1:	3:3:2:1:	C[5,6]-4:P[5]-4:S-4:	N[5]-3:C[6a]-3:O-1:O-1:	C[6a]-3:N[5]-3:O[5]-2:O-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]O)(SC[6a]OO)	S(N[5]C[5,6]P[5])(C[6a]C[6a]2)(O)2	P[5](C[6a]C[6a]2)(N[5]C[5,6]S)(O[5]C[5,6])(O)	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	S(N[5]C[5,6]P[5])(C[6a]C[6a]2)(O)2	P[5](C[6a]C[6a]2)(N[5]C[5,6]S)(O[5]C[5,6])(O){2|C<3>,2|C<4>,4|H<1>}	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5,5]C)(N[5]C[5]S)	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5,5]C)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>}	118.3360	0.000	1	118.3360	0.000	1	118.3360	0.000	1	118.3360	0.000	1	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5,5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5,5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S)	N[5](C[5,5]C[5,6a]C[5]2)(SC[6a]OO)(N[5]C[5]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	S(N[5]C[5,5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S){2|H<1>,4|C<3>}	116.5870	0.000	1	116.5870	0.000	1	116.5870	0.000	1	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5,6]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5,6]C[5]C[6]2)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5,6]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5,6]S)	N[5](C[5,6]C[5]C[6]2)(SC[6a]OO)(N[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	S(N[5]C[5,6]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	113.8920	0.000	1	113.8920	0.000	1	112.3820	4.560	2	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5,6]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5,6]C[5a,6]N[5,6]H)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5,6]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]N[5,6]C[6a])(N[5]C[5,6]S)	N[5](C[5,6]C[5a,6]N[5,6]H)(SC[6a]OO)(N[5]C[5]){1|N<3>,3|C<3>}	S(N[5]C[5,6]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]N[5,6]C[6a])(N[5]C[5,6]S){1|H<1>,4|C<3>}	110.8720	0.000	1	110.8720	0.000	1	112.3820	4.560	2	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]C)(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<4>,2|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]C)(N[5]C[5]S){2|C<4>,2|H<1>}	113.4360	0.000	1	113.4360	0.000	1	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<3>,1|O<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|O<1>,2|C<3>,2|C<4>}	114.9350	0.000	1	114.5700	0.266	2	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|C<3>,2|C<4>,2|H<1>}	114.2050	0.000	1	114.5700	0.266	2	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	112.0640	0.000	1	112.0640	0.000	1	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[5]HH)(SC[6a]OO)(N[5]C[5]){3|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]H)(N[5]C[5]S){4|H<1>}	113.9980	0.000	1	113.9980	0.000	1	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5]){2|H<1>,3|C<3>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|H<1>,3|C<3>}	116.9100	0.000	1	116.9100	0.000	1	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){1|H<1>,3|C<3>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]H)(N[5]C[5]S){1|H<1>,2|C<3>}	114.6860	0.000	1	113.4155	3.228	2	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){2|C<3>,3|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]H)(N[5]C[5]S){1|C<3>,3|H<1>}	112.1450	0.000	1	113.4155	3.228	2	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP2_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){4|C<3>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|H<1>,4|C<3>}	109.2625	0.532	2	109.2625	0.284	2	113.0904	6.029	10	113.2504	5.976	13	113.6136	7.364	14	113.6136	7.364	14
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	3:4:2:	3:3:1:1:	3:3:	C[5]-3:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5,5]C)(N[5]C[5]S)	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5,5]C)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>}	115.9130	0.000	1	115.9130	0.000	1	115.9130	0.000	1	115.9130	0.000	1	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:2:4:	3:4:1:1:	3:3:	C[5]-4:N[5]-2:S-4:	N[5]-3:C-4:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(N[5]C[5])(SCOO)	S(N[5]C[5]N[5])(CH3)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CH)(N[5]C[5])(SCOO){1|C<3>,2|C<4>}	S(N[5]C[5]N[5])(CH3)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|H<1>,2|C<3>,3|C<4>}	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5,5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5,5]C[5]3)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5,5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S)	N[5](C[5,5]C[5]3)(SC[6a]OO)(N[5]C[5]){1|O<1>,3|C<3>,4|H<1>}	S(N[5]C[5,5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S){1|C<4>,2|H<1>,3|C<3>}	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[3]C[5]C)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[3]C[5]C)(SC[6a]OO)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|C<3>,2|C<4>,2|H<1>}	112.9355	1.194	2	112.9355	1.426	2	112.6074	5.550	9	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|H<1>,3|C<3>}	115.3520	0.000	1	112.5065	16.194	2	112.6074	5.550	9	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CC)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|C<3>,2|C<4>,2|H<1>}	109.6610	0.000	1	112.5065	16.194	2	112.6074	5.550	9	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|H<1>,2|C<3>,3|C<4>}	108.8490	0.000	1	109.9385	2.374	2	112.6074	5.550	9	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[5]CH)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|H<1>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	111.0280	0.000	1	109.9385	2.374	2	112.6074	5.550	9	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5]){2|H<1>,3|C<3>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|H<1>,3|C<3>}	115.2860	0.000	1	114.2980	1.952	2	112.6074	5.550	9	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]C)(SC[6a]OO)(N[5]C[5]){2|H<1>,3|C<3>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|H<1>,4|C<3>}	113.3100	0.000	1	114.2980	1.952	2	112.6074	5.550	9	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	960	0:SP3_SP2_SP3	N[5]	S	N[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:N[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5])	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(N[5]C[5]){1|H<1>,3|C<3>}	S(N[5]C[5]N[5])(C[6a]C[6a]2)(O)2	N[5](C[5]C[5]H)(N[5]C[5]S){1|H<1>,2|C<3>}	114.1100	0.000	1	114.1100	0.000	1	112.6074	5.550	9	112.7095	5.038	10	113.0171	4.973	12	113.0171	4.973	12
542	952	976	0:SP2_SP2_SP3	N[5]	S	O[5]	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5]){1|C<4>,3|C<3>}	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,1|H<1>,3|C<3>}	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1
542	952	976	0:SP2_SP3_SP3	N[5]	S	O[5]	3:4:2:	3:3:1:1:	4:3:	C[5]-3:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]C)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[6a]2C[5])(N[5]C[5]S)	N[5](C[5]C[5]C)(SC[6a]OO)(O[5]C[5]){1|H<1>,2|C<3>}	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[6a]2C[5])(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	106.2670	0.000	1	106.2670	0.000	1	106.2670	0.000	1	106.2670	0.000	1	106.2670	0.000	1	106.2670	0.000	1
542	952	976	0:SP3_SP3_SP3	N[5]	S	O[5]	4:2:4:	3:3:1:1:	4:3:	C[5]-4:O[5]-2:S-4:	N[5]-3:C[6a]-3:O-1:O-1:	C[5,6]-4:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(SC[6a]OO)	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)	N[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.4480	2.362	11	108.4480	2.362	11
542	952	976	0:SP3_SP3_SP3	N[5]	S	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5,5]-4:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-4:N[5]-3:	N[5](C[5,5]C[5,5]C[5]H)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5,5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5,5]HH)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5]H)(SC[6a]OO)(O[5]C[5]){3|C<4>,4|H<1>}	S(N[5]C[5,5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5,5]HH)(N[5]C[5,5]S){2|C<4>,2|H<1>}	108.4705	0.552	2	108.4705	0.305	2	108.4705	0.305	2	108.3975	2.593	10	108.4480	2.362	11	108.4480	2.362	11
542	952	976	0:SP3_SP3_SP3	N[5]	S	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5,6]-4:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5,6]C[3]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	S(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5,6]C[3]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	106.8150	0.000	1	106.8150	0.000	1	107.3143	1.490	4	108.3975	2.593	10	108.4480	2.362	11	108.4480	2.362	11
542	952	976	0:SP3_SP3_SP3	N[5]	S	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5,6]-4:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|H<1>,3|C<3>}	107.8400	1.834	2	107.8400	3.364	2	107.3143	1.490	4	108.3975	2.593	10	108.4480	2.362	11	108.4480	2.362	11
542	952	976	0:SP3_SP3_SP3	N[5]	S	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5,6]-4:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5,6]HH)(N[5]C[5,6]S)	N[5](C[5,6]C[5,6]C[6]H)(SC[6a]OO)(O[5]C[5]){1|Br<1>,2|C<4>,4|H<1>}	S(N[5]C[5,6]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5,6]HH)(N[5]C[5,6]S){1|Br<1>,1|H<1>,2|C<4>}	106.7620	0.000	1	106.7620	0.000	1	107.3143	1.490	4	108.3975	2.593	10	108.4480	2.362	11	108.4480	2.362	11
542	952	976	0:SP3_SP3_SP3	N[5]	S	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[5]CH)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5]S)	N[5](C[5]C[5]CH)(SC[6a]OO)(O[5]C[5]){1|C<3>,3|H<1>}	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	110.7005	1.398	2	110.7005	1.954	2	109.4442	3.159	4	108.3975	2.593	10	108.4480	2.362	11	108.4480	2.362	11
542	952	976	0:SP3_SP3_SP3	N[5]	S	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5]HH)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5]){1|Br<1>,2|C<3>,3|H<1>}	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5]HH)(N[5]C[5]S){1|Br<1>,1|C<3>,2|H<1>}	107.4100	0.000	1	108.1880	1.211	2	109.4442	3.159	4	108.3975	2.593	10	108.4480	2.362	11	108.4480	2.362	11
542	952	976	0:SP3_SP3_SP3	N[5]	S	O[5]	4:4:2:	3:3:1:1:	4:3:	C[5]-4:S-4:O[5]-2:	N[5]-3:C[6a]-3:O-1:O-1:	C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5])	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5]HH)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	S(N[5]C[5]O[5])(C[6a]C[6a]2)(O)2	O[5](C[5]C[5]HH)(N[5]C[5]S){1|C<3>,1|O<2>,2|H<1>}	108.9660	0.000	1	108.1880	1.211	2	109.4442	3.159	4	108.3975	2.593	10	108.4480	2.362	11	108.4480	2.362	11
542	955	960	0:SP2_SP2_SP3	N[5,5]	P[5]	N[5]	4:4:2:	3:4:3:1:	3:3:	C[5,5]-4:P[5]-4:N[5]-2:	N[5,5]-3:C[5]-4:C[6a]-3:Se-1:	N[5,5]-3:C[5]-3:	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5])	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se)	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5])	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se){1|Se<2>,1|C<4>,4|H<1>,5|C<3>}	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5]){1|Se<1>,3|C<3>,3|C<4>}	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1
542	955	960	0:SP3_SP2_SP3	N[5,5]	P[5]	N[5]	4:4:2:	3:4:3:1:	3:3:	C[5,5]-4:P[5]-4:N[5]-2:	N[5,5]-3:C[5]-4:C[6a]-3:Se-1:	N[5,5]-3:C[5]-3:	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5])	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se)	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5])	N[5,5](C[5,5]Se[5]C[5]C)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se){1|Se<2>,1|C<4>,4|H<1>,5|C<3>}	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5]){1|Se<1>,3|C<3>,3|C<4>}	115.3850	0.000	1	115.3850	0.000	1	117.1375	6.143	2	117.1375	6.143	2	117.1375	6.143	2	117.1375	6.143	2
542	955	960	0:SP3_SP2_SP3	N[5,5]	P[5]	N[5]	4:4:2:	3:4:3:1:	3:3:	C[5,5]-4:P[5]-4:N[5]-2:	N[5,5]-3:C[5]-4:C[6a]-3:Se-1:	N[5,5]-3:C[5]-3:	N[5,5](C[5,5]Se[5]C[5]H)(P[5]C[6a]C[5]Se)(N[5]C[5])	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se)	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5])	N[5,5](C[5,5]Se[5]C[5]H)(P[5]C[6a]C[5]Se)(N[5]C[5]){3|H<1>,4|C<3>}	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se){1|Se<2>,5|C<3>,5|H<1>}	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5]){1|Se<1>,1|H<1>,2|C<4>,3|C<3>}	118.8900	0.000	1	118.8900	0.000	1	117.1375	6.143	2	117.1375	6.143	2	117.1375	6.143	2	117.1375	6.143	2
542	955	983	0:SP2_SP1_SP3	N[5]	P[5]	C	4:3:2:	3:3:2:4:	3:3:	P[5]-4:C[5]-3:C-2:	C[6a]-3:N[5]-3:O[5]-2:B-4:	N[5]-3:C[6a]-3:	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a])	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	C(N[5]C[5]P[5])(C[6a]C[6a]2)	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]){2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){3|C<3>,4|H<1>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1
542	956	960	0:SP2_SP2_SP2	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(NHH){1|Zn<6>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|Zn<6>,1|H<1>}	124.0330	0.000	1	124.0330	0.000	1	124.8735	1.413	2	124.8735	1.413	2	124.8735	1.413	2	124.8735	1.413	2
542	956	960	0:SP2_SP2_SP2	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|C<4>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|C<4>,1|N<3>}	125.7140	0.000	1	125.7140	0.000	1	124.8735	1.413	2	124.8735	1.413	2	124.8735	1.413	2	124.8735	1.413	2
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){2|C<4>}	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]C)(N[5]N[5]N){1|C<4>}	122.1980	0.000	1	122.1980	0.000	1	121.2488	0.167	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Fe<6>,1|H<1>}	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]H)(N[5]N[5]N){1|Fe<6>}	121.0972	0.332	6	121.1894	0.115	16	121.2488	0.167	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Mn<6>,1|H<1>}	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]H)(N[5]N[5]N){1|Mn<6>}	121.4483	0.418	3	121.1894	0.115	16	121.2488	0.167	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Zn<6>,1|H<1>}	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]H)(N[5]N[5]N){1|Zn<6>}	121.1558	0.335	6	121.1894	0.115	16	121.2488	0.167	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){2|H<1>}	N(N[5]N[5]2)(H)2	N[5](C[5]N[5]H)(N[5]N[5]N){1|H<1>}	121.1680	0.000	1	121.1894	0.115	16	121.2488	0.167	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]C)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){2|C<4>}	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]C)(N[5]N[5]N){1|C<4>}	121.1340	0.000	1	121.1340	0.000	1	122.9564	0.838	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]Fe)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Fe<6>,1|H<1>}	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]Fe)(N[5]N[5]N){1|H<1>}	123.2593	0.877	6	123.2593	0.770	6	122.9564	0.838	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){2|H<1>}	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]H)(N[5]N[5]N){1|H<1>}	121.8280	0.000	1	121.8280	0.000	1	122.9564	0.838	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]Mn)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Mn<6>,1|H<1>}	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]Mn)(N[5]N[5]N){1|H<1>}	122.6017	0.674	3	122.6017	0.455	3	122.9564	0.838	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	2:2:3:	3:1:1:	3:3:	N[5]-2:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]Zn)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Zn<6>,1|H<1>}	N(N[5]N[5]2)(H)2	N[5](N[5]C[5]Zn)(N[5]N[5]N){1|H<1>}	123.3225	0.682	6	123.3225	0.465	6	122.9564	0.838	17	122.1026	1.239	34	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]C)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]C)(N[5]N[5])(NHH){1|C<4>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){2|C<4>}	121.6830	2.826	2	121.6830	7.984	2	123.2660	7.344	25	123.2660	7.344	25	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]H)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]H)(N[5]N[5])(NHH){1|Zn<6>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|Zn<6>,1|H<1>}	123.3100	0.345	2	123.3100	0.119	2	123.2660	7.344	25	123.2660	7.344	25	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|C<4>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|C<4>,1|N<2>}	126.1290	0.000	1	124.5733	5.399	15	123.2660	7.344	25	123.2660	7.344	25	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|C<4>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|C<4>,1|N<3>}	122.4385	3.842	4	124.5733	5.399	15	123.2660	7.344	25	123.2660	7.344	25	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|Cd<6>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|Cd<6>,1|N<3>}	125.2097	0.511	3	124.5733	5.399	15	123.2660	7.344	25	123.2660	7.344	25	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|H<1>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|H<1>,1|N<3>}	125.0342	0.680	6	124.5733	5.399	15	123.2660	7.344	25	123.2660	7.344	25	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|Zn<6>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|Zn<6>,1|N<3>}	126.8820	0.000	1	124.5733	5.399	15	123.2660	7.344	25	123.2660	7.344	25	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:2:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:	N[5](C[5]N[5]O)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5]O)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)(N[5]N[5]){1|O<1>}	120.5108	1.809	6	120.5108	3.272	6	123.2660	7.344	25	123.2660	7.344	25	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:3:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]N[5]H)(N[5]C[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5]N)	N[5](C[5]N[5]H)(N[5]C[5])(NHH){2|H<1>}	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5]N){2|H<1>}	122.7420	0.000	1	122.7420	0.000	1	123.6110	0.654	3	121.5425	4.143	11	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:3:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:	N[5](C[5]O[5]N)(N[5]C[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](C[5]O[5]C)(N[5]C[5]N)	N[5](C[5]O[5]N)(N[5]C[5])(NHH){1|C<3>}	N(N[5]C[5]N[5])(H)2	N[5](C[5]O[5]C)(N[5]C[5]N){1|N<3>}	124.0455	0.418	2	124.0455	0.175	2	123.6110	0.654	3	121.5425	4.143	11	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:3:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]C)(N[5]C[5]N)	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|C<4>,1|H<1>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]C)(N[5]C[5]N){2|H<1>}	121.0294	1.298	5	121.0294	1.685	5	120.7668	3.210	8	121.5425	4.143	11	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:3:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]H)(N[5]C[5]N)	N[5](C[5]C[5]H)(N[5]N[5])(NHH){2|H<1>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]H)(N[5]C[5]N){2|H<1>}	121.2330	0.000	1	121.2330	0.000	1	120.7668	3.210	8	121.5425	4.143	11	122.4301	4.179	70	122.4301	4.179	70
542	956	960	0:SP2_SP2_SP3	N[5]	N	N[5]	3:2:3:	3:1:1:	3:3:	C[5]-3:N[5]-2:N-3:	N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)2	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|H<1>,1|N<3>}	N(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]N)2{2|H<1>}	119.8770	3.685	2	119.8770	13.582	2	120.7668	3.210	8	121.5425	4.143	11	122.4301	4.179	70	122.4301	4.179	70
542	959	959	5:SP2_SP3_SP3	N[5]	S[5]	S[5]	4:4:3:	3:3:1:1:	3:3:1:1:	S[5]-4:S[5]-4:C-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)2(CNO)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)2	N[5](S[5]C[5,6a]OO)2(CNO){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)2{1|H<1>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)2{1|H<1>,2|C<3>,2|O<1>}	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1
542	959	959	5:SP3_SP3_SP3	N[5]	S[5]	S[5]	4:4:1:	3:3:1:1:	3:3:1:1:	S[5]-4:S[5]-4:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)2(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)2	N[5](S[5]C[5,6a]OO)2(H){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)2{1|H<1>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)2{1|H<1>,2|C<3>,2|O<1>}	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	111.5707	28.087	3	111.5707	28.087	3
542	959	959	5:SP3_SP3_SP3	N[5]	S[5]	S[5]	4:4:2:	3:3:1:1:	3:3:1:1:	S[5]-4:S[5]-4:O-2:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)2(OH)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]O)(O)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]O)(O)2	N[5](S[5]C[5,6a]OO)2(OH){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]O)(O)2{1|H<1>,2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]O)(O)2{1|H<1>,2|C<3>,2|O<1>}	105.6340	0.000	1	105.6340	0.000	1	105.6340	0.000	1	105.6340	0.000	1	111.5707	28.087	3	111.5707	28.087	3
542	959	959	5:SP3_SP3_SP3	N[5]	S[5]	S[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[3x6]-4:S[5]-4:S[5]-4:	C[5,6a]-3:N[5]-3:O-1:O-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[3x6]C[6,6]3)(S[5]C[5,6a]OO)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3x6]S[5])(O)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3x6]S[5])(O)2	N[5](C[3x6]C[6,6]3)(S[5]C[5,6a]OO)2{2|C<3>,3|C<4>,6|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3x6]S[5])(O)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3x6]S[5])(O)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	111.5707	28.087	3	111.5707	28.087	3
542	959	983	0:SP3_SP1_SP3	N[5]	S[5]	C	4:4:2:	3:3:1:1:	3:3:	C[5]-4:S[5]-4:C-2:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5]-3:C[6a]-3:	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a])	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2	C(N[5]C[5]S[5])(C[6a]C[6a]2)	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]){2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)2{1|S<2>,2|C<3>,2|H<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:1:	3:3:	3:3:	N[5]-2:N[5]-2:O-1:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(O)	N[5](C[5]N[5]C)(N[5]N[5]O)	N[5](N[5]C[5]C)(N[5]N[5]O)	N[5](N[5]C[5])(N[5]N[5])(O){2|C<4>}	N[5](C[5]N[5]C)(N[5]N[5]O){1|C<4>}	N[5](N[5]C[5]C)(N[5]N[5]O){1|C<4>}	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.8200	0.054	2	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:1:	3:3:	3:3:	N[5]-2:N[5]-2:O-1:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(O)	N[5](N[5]C[6a]C[5])(N[5]N[5]O)	N[5](C[5]N[5]Cl)(N[5]N[5]O)	N[5](N[5]C[5])(N[5]N[5])(O){1|Cl<1>,1|C<3>}	N[5](N[5]C[6a]C[5])(N[5]N[5]O){1|Cl<1>,2|C<3>}	N[5](C[5]N[5]Cl)(N[5]N[5]O){1|C<3>}	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	114.8200	0.054	2	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:2:	3:3:	3:3:	N[5]-2:N[5]-2:N-2:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NH)	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5]Mn)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NH){1|Mn<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]N[5]N){1|Mn<6>}	N[5](N[5]C[5]Mn)(N[5]N[5]N){1|H<1>}	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:3:	3:3:	3:3:	N[5]-2:N[5]-2:N-3:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N[5](C[5]N[5]C)(N[5]N[5]N)	N[5](N[5]C[5]C)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){2|C<4>}	N[5](C[5]N[5]C)(N[5]N[5]N){1|C<4>}	N[5](N[5]C[5]C)(N[5]N[5]N){1|C<4>}	116.4130	0.000	1	116.4130	0.000	1	115.6697	0.389	16	115.6697	0.389	16	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:3:	3:3:	3:3:	N[5]-2:N[5]-2:N-3:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5]Fe)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Fe<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]N[5]N){1|Fe<6>}	N[5](N[5]C[5]Fe)(N[5]N[5]N){1|H<1>}	115.5495	0.673	6	115.5495	0.453	6	115.6697	0.389	16	115.6697	0.389	16	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:3:	3:3:	3:3:	N[5]-2:N[5]-2:N-3:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5]H)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){2|H<1>}	N[5](C[5]N[5]H)(N[5]N[5]N){1|H<1>}	N[5](N[5]C[5]H)(N[5]N[5]N){1|H<1>}	116.7670	0.000	1	116.7670	0.000	1	115.6697	0.389	16	115.6697	0.389	16	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:3:	3:3:	3:3:	N[5]-2:N[5]-2:N-3:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5]Mn)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Mn<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]N[5]N){1|Mn<6>}	N[5](N[5]C[5]Mn)(N[5]N[5]N){1|H<1>}	115.8257	0.213	3	115.8257	0.046	3	115.6697	0.389	16	115.6697	0.389	16	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:3:	3:3:	3:3:	N[5]-2:N[5]-2:N-3:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(NHH)	N[5](C[5]N[5]H)(N[5]N[5]N)	N[5](N[5]C[5]Zn)(N[5]N[5]N)	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Zn<6>,1|H<1>}	N[5](C[5]N[5]H)(N[5]N[5]N){1|Zn<6>}	N[5](N[5]C[5]Zn)(N[5]N[5]N){1|H<1>}	115.3524	0.516	5	115.3524	0.267	5	115.6697	0.389	16	115.6697	0.389	16	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5]Cu)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<4>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<4>,1|C<3>,1|N<3>}	N[5](N[5]C[5]Cu)(N[5]N[5]C){1|C<3>}	114.2170	0.263	4	114.2267	0.270	7	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5]Cu)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<5>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<5>,1|C<3>,1|N<3>}	N[5](N[5]C[5]Cu)(N[5]N[5]C){1|C<3>}	115.0720	0.000	1	114.2267	0.270	7	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5]Cu)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<6>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Cu<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5]Cu)(N[5]N[5]C){1|C<3>}	113.8235	0.609	2	114.2267	0.270	7	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CC3)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5]Re)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Re<6>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Re<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5]Re)(N[5]N[5]C){1|C<3>}	114.4210	0.000	1	114.4210	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5]Fe)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Fe<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5]Fe)(N[5]N[5]C){1|C<3>}	115.4145	0.247	2	115.4145	0.061	2	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5]Zn)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Zn<6>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Zn<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5]Zn)(N[5]N[5]C){1|C<3>}	114.8970	0.000	1	114.8970	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	N[5](C[5]N[5]H)(N[5]N[5]C)	N[5](N[5]C[5]Cu)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Cu<5>,1|H<1>}	N[5](C[5]N[5]H)(N[5]N[5]C){1|Cu<5>}	N[5](N[5]C[5]Cu)(N[5]N[5]C){1|H<1>}	114.5940	0.000	1	114.5940	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5]Ir)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Ir<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5]Ir)(N[5]N[5]C){1|C<3>}	115.3680	0.000	1	115.3680	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]C[6]N[5])(N[5]N[5]C)	N[5](N[5]C[5]Ru)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5]C){1|Ru<6>,1|C<3>,1|N<3>}	N[5](N[5]C[5]Ru)(N[5]N[5]C){1|C<3>}	115.7400	0.000	1	115.7400	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]Cr)(N[5]N[5]C)	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Cr<6>,1|C<4>}	N[5](C[5]N[5]Cr)(N[5]N[5]C){1|C<4>}	N[5](N[5]C[5]C)(N[5]N[5]C){1|Cr<6>}	115.1820	0.000	1	115.1820	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]Ir)(N[5]N[5]C)	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>}	N[5](C[5]N[5]Ir)(N[5]N[5]C){1|C<4>}	N[5](N[5]C[5]C)(N[5]N[5]C){1|Ir<4>}	116.1070	0.000	1	115.7345	0.278	2	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]Ir)(N[5]N[5]C)	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(N[5]N[5]C){1|C<4>}	N[5](N[5]C[5]C)(N[5]N[5]C){1|Ir<6>}	115.3620	0.000	1	115.7345	0.278	2	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]Mo)(N[5]N[5]C)	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Mo<9>,1|C<4>}	N[5](C[5]N[5]Mo)(N[5]N[5]C){1|C<4>}	N[5](N[5]C[5]C)(N[5]N[5]C){1|Mo<9>}	115.2470	0.000	1	115.2470	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<4>,1|N<3>}	N[5](C[5]N[5]N)(N[5]N[5]C){1|C<4>}	N[5](N[5]C[5]C)(N[5]N[5]C){1|N<3>}	116.3550	0.000	1	116.3550	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5]H)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|H<1>,1|N<3>}	N[5](C[5]N[5]N)(N[5]N[5]C){1|H<1>}	N[5](N[5]C[5]H)(N[5]N[5]C){1|N<3>}	116.6200	0.000	1	116.6200	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	C[5]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](C[5]N[5]N)(N[5]N[5]C)	N[5](N[5]C[5]Ni)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ni<6>,1|N<2>}	N[5](C[5]N[5]N)(N[5]N[5]C){1|Ni<6>}	N[5](N[5]C[5]Ni)(N[5]N[5]C){1|N<2>}	114.8680	0.000	1	114.8680	0.000	1	115.0084	0.666	21	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CCHH)	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5]C)	N[5](C[5]N[5]C)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|B<6>,1|C<4>}	N[5](N[5]B[5x3,4,9x5,6,6]C[5])(N[5]N[5]C){1|B<5>,1|C<4>,4|B<6>}	N[5](C[5]N[5]C)(N[5]N[5]C){1|B<6>}	115.3580	0.000	1	115.3580	0.000	1	115.6945	0.226	2	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	2:2:4:	3:3:	3:3:	N[5]-2:N[5]-2:C-4:	N[5]-3:N[5]-3:	C[5]-3:N[5]-3:	N[5](N[5]C[5])(N[5]N[5])(CH3)	N[5](N[5]C[6a]C[5])(N[5]N[5]C)	N[5](C[5]N[5]S)(N[5]N[5]C)	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<3>,1|S<2>}	N[5](N[5]C[6a]C[5])(N[5]N[5]C){1|S<2>,2|C<3>}	N[5](C[5]N[5]S)(N[5]N[5]C){1|C<3>}	116.0310	0.000	1	116.0310	0.000	1	115.6945	0.226	2	115.0681	0.655	23	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:2:2:	4:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[5,5]-4:N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){2|C<4>,6|C<3>}	122.9760	0.000	1	123.3300	0.179	3	123.3300	0.179	3	123.3300	0.179	3	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:2:2:	4:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[5,5]-4:N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){2|C<4>,6|C<3>}	123.2150	0.000	1	123.3300	0.179	3	123.3300	0.179	3	123.3300	0.179	3	115.8339	4.665	45	115.8339	4.665	45
542	960	960	5:SP2_SP2_SP2	N[5]	N[5]	N[5]	3:2:2:	4:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[5,5]-4:N[5]-3:	C[5,5]-4:N[5]-3:	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|N<3>,7|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){8|C<3>}	123.7990	0.000	1	123.3300	0.179	3	123.3300	0.179	3	123.3300	0.179	3	115.8339	4.665	45	115.8339	4.665	45
542	960	961	0:SP3_SP2_SP3	N[5,6]	N[5]	S[6]	4:4:2:	3:3:	3:3:1:1:	C[5,6]-4:S[6]-4:N[5]-2:	N[5,6]-3:C[5]-3:	C[6,6]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6]OO)(N[5]C[5])	N[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5])	S[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]N[5])(O)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6]OO)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	N[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	S[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]N[5])(O)2{2|C<3>,3|C<4>,3|H<1>}	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1
542	960	976	5:SP2_SP2_SP3	N[5]	N[5]	O[5]	2:2:4:	3:2:	4:3:	N[5]-2:O[5]-2:C-4:	N[5]-3:O[5]-2:	B[5]-4:N[5]-3:	N[5](N[5]O[5])(O[5]B[5])(CCCH)	N[5](N[5]O[5]C)(O[5]B[5])	O[5](B[5]C[6a]2O[5])(N[5]N[5]C)	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	N[5](N[5]O[5]C)(O[5]B[5]){2|C<3>}	O[5](B[5]C[6a]2O[5])(N[5]N[5]C){4|C<3>}	117.3430	0.066	2	117.3430	0.004	2	117.3430	0.004	2	117.3430	0.004	2	117.3430	0.004	2	117.3430	0.004	2
542	960	983	0:SP2_SP1_SP2	N[5]	N[5]	C	2:2:2:	3:2:	3:4:	C[5]-2:N[5]-2:C-2:	N[5]-3:C[5]-2:	N[5]-3:C-4:	N[5](C[5]N[5])(N[5]C[5])(CC)	N[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]N[5])(CC[6]CO)	N[5](C[5]N[5])(N[5]C[5])(CC)	N[5](N[5]C[5]C)(C[5]N[5])	C(N[5]C[5]N[5])(CC[6]CO)	125.3030	1.633	2	125.3030	2.668	2	125.3030	2.668	2	125.3030	2.668	2	121.1320	24.105	4	121.1320	24.105	4
542	960	983	0:SP2_SP1_SP2	N[5]	N[5]	C	3:2:2:	3:3:	3:1:	C[5]-3:N[5]-2:C-2:	N[5]-3:N[5]-3:	N[5]-3:C-1:	N[5](C[5]C[5]Pd)(N[5]N[5])(CC)	N[5](N[5]C[5]C)2	C(N[5]C[5]N[5])(C)	N[5](C[5]C[5]Pd)(N[5]N[5])(CC){1|C<3>,1|C<4>}	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(C)	117.1300	0.000	1	117.1300	0.000	1	117.1300	0.000	1	117.1300	0.000	1	121.1320	24.105	4	121.1320	24.105	4
542	960	983	0:SP2_SP1_SP2	N[5]	N[5]	C	3:2:2:	3:3:	3:3:	C[5]-3:N[5]-2:C-2:	N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:	N[5](C[5]C[5]Pd)(N[5]N[5])(CC[6a])	N[5](N[5]C[5]C)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5](C[5]C[5]Pd)(N[5]N[5])(CC[6a]){1|C<3>,1|C<4>}	N[5](N[5]C[5]C)2{1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)	116.7920	0.000	1	116.7920	0.000	1	116.7920	0.000	1	116.7920	0.000	1	121.1320	24.105	4	121.1320	24.105	4
542	960	987	5:SP2_SP-NON_SP2	N[5]	N[5]	P[5]	4:2:2:	3:2:	3:3:	C-4:N[5]-2:P[5]-2:	N[5]-3:N[5]-2:	C[5]-3:N[5]-3:	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5])	N[5](N[5]P[5]C)(N[5]C[5])	P[5](C[5]N[5]C)(N[5]N[5]C)	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5]){1|C<4>}	N[5](N[5]P[5]C)(N[5]C[5]){1|C<4>}	P[5](C[5]N[5]C)(N[5]N[5]C)	115.9970	0.306	4	115.9970	0.094	4	115.9970	0.094	4	116.1335	0.093	8	116.3790	0.624	9	116.3790	0.624	9
542	960	987	5:SP2_SP-NON_SP2	N[5]	N[5]	P[5]	4:2:2:	3:2:	3:3:	C[5]-4:N[5]-2:P[5]-2:	N[5]-3:N[5]-2:	N[5]-3:C[5]-3:	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5])	N[5](N[5]C[5]P[5])(N[5]C[5])	P[5](N[5]C[5]N[5])(C[5]N[5]C)	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5]){2|H<1>,3|C<4>}	N[5](N[5]C[5]P[5])(N[5]C[5]){1|Fe<10>,3|C<4>}	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,2|C<4>}	116.2700	0.273	4	116.2700	0.075	4	116.2700	0.075	4	116.1335	0.093	8	116.3790	0.624	9	116.3790	0.624	9
542	960	987	5:SP2_SP-NON_SP2	N[5]	N[5]	P[5]	4:2:2:	3:3:	3:3:	C[5]-4:N[5]-2:P[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5])	N[5](N[5]C[5]P[5])(N[5]C[5]H)	P[5](N[5]C[5]N[5])(C[5]N[5]C)	N[5](C[5]C[5]2Fe)(N[5]N[5])(P[5]C[5]){3|C<4>,3|H<1>}	N[5](N[5]C[5]P[5])(N[5]C[5]H){1|Fe<10>,3|C<4>}	P[5](N[5]C[5]N[5])(C[5]N[5]C){1|Fe<10>,1|H<1>,2|C<4>}	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	116.3790	0.624	9	116.3790	0.624	9
542	960	997	5:SP2_SP2_SP3	N[5]	N[5]	Se[5]	2:3:2:	3:3:	3:3:	Se[5]-2:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5]){1|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,4|C<3>}	117.8098	0.731	4	117.8098	0.535	4	117.8098	0.535	4	117.8098	0.535	4	117.8098	0.535	4	117.8098	0.535	4
542	976	976	0:SP3_SP3_SP3	N[5,5]	O[5]	O[5]	4:2:2:	3:4:	3:4:	C[3x5]-4:O[5]-2:O[5]-2:	N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:	N[5,5](C[3x5]C[5,5]C[5]2)(O[5]C[5])2	O[5](N[5,5]C[3x5]O[5])(C[5]C[5,5]HH)	O[5](N[5,5]C[3x5]O[5])(C[5]C[5]CH)	N[5,5](C[3x5]C[5,5]C[5]2)(O[5]C[5])2{1|C<3>,3|C<4>,7|H<1>}	O[5](N[5,5]C[3x5]O[5])(C[5]C[5,5]HH){1|H<1>,4|C<4>}	O[5](N[5,5]C[3x5]O[5])(C[5]C[5]CH){2|H<1>,3|C<4>}	105.4908	1.066	4	105.4908	1.136	4	105.4908	1.136	4	105.1572	0.964	6	105.1572	0.964	6	105.1572	0.964	6
542	976	976	0:SP3_SP3_SP3	N[5,5]	O[5]	O[5]	4:2:2:	3:4:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:	N[5,5](C[5,5]C[5]2F)(O[5]C[5])2	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CC)	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CH)	N[5,5](C[5,5]C[5]2F)(O[5]C[5])2{1|C<2>,3|C<3>,4|H<1>}	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CC){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CH){1|F<1>,2|C<4>,2|H<1>}	104.2940	0.000	1	104.2940	0.000	1	104.4900	0.077	2	105.1572	0.964	6	105.1572	0.964	6	105.1572	0.964	6
542	976	976	0:SP3_SP3_SP3	N[5,5]	O[5]	O[5]	4:2:2:	3:4:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:	N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:	N[5,5](C[5,5]C[5]2F)(O[5]C[5])2	O[5](N[5,5]C[5,5]O[5])(C[5]C[6a]C[5]H)	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CC)	N[5,5](C[5,5]C[5]2F)(O[5]C[5])2{4|C<3>,4|H<1>}	O[5](N[5,5]C[5,5]O[5])(C[5]C[6a]C[5]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](N[5,5]C[5,5]O[5])(C[5]C[5]CC){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	104.6860	0.000	1	104.6860	0.000	1	104.4900	0.077	2	105.1572	0.964	6	105.1572	0.964	6	105.1572	0.964	6
542	987	987	5:SP2_SP-NON_SP-NON	N[5]	P[5]	P[5]	2:2:4:	3:2:	3:3:	P[5]-2:P[5]-2:Si-4:	N[5]-3:N[5]-2:	N[5]-3:C[5]-3:	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	P[5](N[5]P[5]Si)(N[5]C[5])	P[5](N[5]P[5]Si)(C[5]N[5]N)	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	P[5](N[5]P[5]Si)(N[5]C[5]){1|N<3>}	P[5](N[5]P[5]Si)(C[5]N[5]N)	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	118.0410	18.168	2	118.0410	18.168	2
542	987	987	5:SP2_SP-NON_SP-NON	N[5]	P[5]	P[5]	3:2:2:	3:3:	3:3:	C[6a]-3:P[5]-2:P[5]-2:	N[5]-3:N[5]-3:	N[5]-3:C[5]-3:	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5])	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5])	P[5](N[5]C[6a]P[5])(C[5]N[5]N)	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5]){1|N<2>,5|C<3>}	P[5](N[5]C[6a]C[5])(N[5]C[6a]P[5]){1|N<2>,4|C<3>}	P[5](N[5]C[6a]P[5])(C[5]N[5]N){3|C<3>}	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	118.0410	18.168	2	118.0410	18.168	2
542	987	987	5:SP3_SP-NON_SP-NON	N[5]	P[5]	P[5]	2:2:4:	3:2:	3:3:	P[5]-2:P[5]-2:Si-4:	N[5]-3:N[5]-2:	N[5]-3:C[5]-3:	N[5](P[5]C[5])(P[5]N[5])(SiSi3)	P[5](N[5]P[5]Si)(N[5]C[5])	P[5](N[5]P[5]Si)(C[5]N[5]N)	N[5](P[5]C[5])(P[5]N[5])(SiSi3){1|N<3>}	P[5](N[5]P[5]Si)(N[5]C[5]){1|N<3>}	P[5](N[5]P[5]Si)(C[5]N[5]N)	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1
546	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:	3:3:2:	3:3:2:	N[6]-3:N[6]-3:	C[6a]-3:C[6]-3:Ga[6]-2:	C[6a]-3:C[6]-3:Ga[6]-2:	Ga[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	Ga[6](N[6]C[6a]C[6])2{2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	88.4736	1.339	2	88.4736	1.793	2	88.4736	1.793	2	88.4736	1.793	2	91.2852	24.611	3	91.2852	24.611	3
546	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:	4:3:2:	4:3:2:	N[6]-3:N[6]-3:	P[6]-4:C[6a]-3:Ga[6]-2:	P[6]-4:C[6a]-3:Ga[6]-2:	Ga[6](N[6]C[6a]P[6])2	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6])	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6])	Ga[6](N[6]C[6a]P[6])2{9|C<3>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6]){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6]){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	96.9083	0.000	1	96.9083	0.000	1	96.9083	0.000	1	96.9083	0.000	1	91.2852	24.611	3	91.2852	24.611	3
562	2	643	0:SP3_SP2_SP2	Si[5]	B[5]	C[6a]	3:3:3:1:	4:4:2:	4:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:H-1:	Si[5]-4:C[5]-4:O-2:	Si[5]-4:C[6a]-3:C[6a]-3:	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H)	B[5](Si[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Si2)(OC)	C[6a](Si[5]C[5,6a]B[5]H)(C[6a]C[6a]C)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H){2|Si<4>,3|C<4>,4|C<3>}	B[5](Si[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Si2)(OC){4|C<3>}	C[6a](Si[5]C[5,6a]B[5]H)(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1
562	2	727	5:SP3_SP2_SP2	Si[5]	B[5]	C[5,6a]	3:3:3:1:	4:4:2:	3:4:3:	C[5,6a]-3:C[6a]-3:B[5]-3:H-1:	Si[5]-4:C[5]-4:O-2:	C[5,6a]-3:Si[5]-4:C[6a]-3:	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H)	B[5](Si[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Si2)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C)	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H){2|Si<4>,3|C<4>,4|C<3>}	B[5](Si[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Si2)(OC){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C){2|Si<4>,1|O<2>,2|H<1>,3|C<3>}	91.1667	0.000	1	91.1667	0.000	1	91.1667	0.000	1	91.1667	0.000	1	91.1667	0.000	1	91.1667	0.000	1
562	2	951	0:SP3_SP-NON_SP2	Si[5]	B[5]	H	3:3:3:1:	4:4:2:	4:	C[5,6a]-3:C[6a]-3:B[5]-3:H-1:	Si[5]-4:C[5]-4:O-2:	Si[5]-4:	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H)	B[5](Si[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Si2)(OC)	H(Si[5]C[5,6a]C[6a]B[5])	Si[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]O)(H){2|Si<4>,3|C<4>,4|C<3>}	B[5](Si[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Si2)(OC){4|C<3>}	H(Si[5]C[5,6a]C[6a]B[5])	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1
562	246	474	5:SP3_SP3_SP3	Si[3x5]	P[5,5,6]	C[5,5,6]	4:3:3:3:	4:3:3:	4:2:2:4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	Si[3x5]-4:C[5,6]-3:C[5,6]-3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2	P[5,5,6](Si[3x5]C[5,5,6]N[5]2)(C[5,6]P[5,6]C)2	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2{2|C<3>,2|C<4>}	P[5,5,6](Si[3x5]C[5,5,6]N[5]2)(C[5,6]P[5,6]C)2{2|C<3>,3|C<4>}	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	90.2720	0.000	1	90.2720	0.000	1	89.5350	1.086	2	89.5350	1.086	2	89.5350	1.086	2	99.5872	60.927	6
562	246	474	5:SP3_SP3_SP3	Si[3x5]	P[5,5,6]	C[5,5,6]	4:3:3:3:	4:3:3:	4:2:2:4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	Si[3x5]-4:C[5,6]-3:C[5,6]-3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2	P[5,5,6](Si[3x5]C[5,5,6]N[5]2)(C[5,6]P[5,6]C)2	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2{2|C<4>,2|H<1>}	P[5,5,6](Si[3x5]C[5,5,6]N[5]2)(C[5,6]P[5,6]C)2{2|C<3>,3|C<4>}	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	88.7980	0.000	1	88.7980	0.000	1	89.5350	1.086	2	89.5350	1.086	2	89.5350	1.086	2	99.5872	60.927	6
562	246	474	5:SP3_SP3_SP3	Si[5]	P[5]	C[5]	3:4:4:4:	4:4:4:	4:4:1:1:	P[5]-3:C[5]-4:C-4:C-4:	Si[5]-4:Si[5]-4:Si-4:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2	P[5](Si[5]C[5]CC)2(SiC3)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	P[5](Si[5]C[5]CC)2(SiC3){4|H<1>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Si<4>,2|C<4>}	104.6132	0.369	4	104.6132	0.136	4	104.6132	0.136	4	104.6132	0.136	4	104.6132	0.136	4	99.5872	60.927	6
562	246	490	0:SP3_SP3_SP3	Si[5]	P[5,6]	C	3:2:4:4:	3:3:4:	4:4:4:1:	P[5,6]-3:O[5]-2:C-4:C-4:	P[6,6]-3:P[5,6]-3:Si[5]-4:	Si[5]-4:C-4:C-4:H-1:	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2	P[5,6](P[6,6]Si[6,6]Si[6])(P[5,6]Si[5]Si[6])(Si[5]O[5]CC)	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2{3|Si<4>,2|C<4>}	P[5,6](P[6,6]Si[6,6]Si[6])(P[5,6]Si[5]Si[6])(Si[5]O[5]CC){1|O<2>,1|P<3>,8|C<4>}	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	112.1135	7.274	2	112.1135	52.911	2	112.1135	52.911	2	112.1135	52.911	2	113.6257	81.756	4	111.8041	26.305	16
562	246	490	0:SP3_SP3_SP3	Si[5]	P[5,6]	C	3:2:4:4:	3:4:4:	4:4:4:1:	P[5,6]-3:O[5]-2:C-4:C-4:	P[5,6]-3:Si[6]-4:Si[5]-4:	Si[5]-4:C-4:C-4:H-1:	Si[5](P[5,6]P[5,6]Si[6])(O[5]Si[5])(CCCH)2	P[5,6](P[5,6]P[6,6]Si[5])(Si[6]P[6,6]CC)(Si[5]O[5]CC)	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	Si[5](P[5,6]P[5,6]Si[6])(O[5]Si[5])(CCCH)2{2|P<3>,4|C<4>}	P[5,6](P[5,6]P[6,6]Si[5])(Si[6]P[6,6]CC)(Si[5]O[5]CC){3|Si<4>,2|C<4>}	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	115.1380	13.535	2	115.1380	183.208	2	115.1380	183.208	2	115.1380	183.208	2	113.6257	81.756	4	111.8041	26.305	16
562	246	490	0:SP3_SP3_SP3	Si[5]	P[5]	C	3:3:4:4:	3:4:4:	4:1:1:1:	N[5]-3:P[5]-3:C-4:C-4:	C[5]-3:Si[5]-4:C-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](N[5]Si[4,5]Si)(P[5]C[5]C)(CH3)2	P[5](C[5]Si[4,5]C[3x6])(Si[5]N[5]CC)(CH3)	C(Si[5]N[5]P[5]C)(H)3	Si[5](N[5]Si[4,5]Si)(P[5]C[5]C)(CH3)2{1|C<4>,2|N<3>}	P[5](C[5]Si[4,5]C[3x6])(Si[5]N[5]CC)(CH3){1|Si<4>,2|N<3>,3|C<4>}	C(Si[5]N[5]P[5]C)(H)3	110.4190	1.798	4	110.4190	3.231	4	110.4190	3.231	4	110.4190	3.231	4	111.1969	11.964	12	111.8041	26.305	16
562	246	490	0:SP3_SP3_SP3	Si[5]	P[5]	C	3:4:4:4:	4:4:4:	4:1:1:1:	P[5]-3:C[5]-4:C-4:C-4:	Si[5]-4:Si[5]-4:Si-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2	P[5](Si[5]C[5]CC)2(SiC3)	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	P[5](Si[5]C[5]CC)2(SiC3){4|H<1>}	C(Si[5]C[5]P[5]C)(H)3	111.5859	4.111	8	111.5859	16.897	8	111.5859	16.897	8	111.5859	16.897	8	111.1969	11.964	12	111.8041	26.305	16
562	246	542	0:SP3_SP2_SP3	Si[3x5]	P[5,5,6]	N[5]	4:3:3:3:	4:3:3:	4:3:4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	Si[3x5]-4:C[5,6]-3:C[5,6]-3:	Si[3x5]-4:C[5,6a]-3:C-4:	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2	P[5,5,6](Si[3x5]C[5,5,6]N[5]2)(C[5,6]P[5,6]C)2	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2{2|C<3>,2|C<4>}	P[5,5,6](Si[3x5]C[5,5,6]N[5]2)(C[5,6]P[5,6]C)2{2|C<3>,3|C<4>}	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>}	122.0810	4.026	2	122.0810	16.211	2	122.0810	16.211	2	122.4677	5.677	4	122.4677	5.677	4	122.4677	5.677	4
562	246	542	0:SP3_SP2_SP3	Si[3x5]	P[5,5,6]	N[5]	4:3:3:3:	4:3:3:	4:3:4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	Si[3x5]-4:C[5,6]-3:C[5,6]-3:	Si[3x5]-4:C[5]-3:C-4:	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2	P[5,5,6](Si[3x5]C[5,5,6]N[5]2)(C[5,6]P[5,6]C)2	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5]C[5]H)(CC3)	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2{2|C<4>,2|H<1>}	P[5,5,6](Si[3x5]C[5,5,6]N[5]2)(C[5,6]P[5,6]C)2{2|C<3>,3|C<4>}	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>}	122.8545	0.472	2	122.8545	0.222	2	122.8545	0.222	2	122.4677	5.677	4	122.4677	5.677	4	122.4677	5.677	4
562	246	542	5:SP3_SP2_SP3	Si[5]	P[5]	N[5]	3:3:4:4:	3:4:4:	4:4:4:	N[5]-3:P[5]-3:C-4:C-4:	C[5]-3:Si[5]-4:C-4:	Si[4,5]-4:Si[5]-4:Si-4:	Si[5](N[5]Si[4,5]Si)(P[5]C[5]C)(CH3)2	P[5](C[5]Si[4,5]C[3x6])(Si[5]N[5]CC)(CH3)	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3)	Si[5](N[5]Si[4,5]Si)(P[5]C[5]C)(CH3)2{1|C<4>,2|N<3>}	P[5](C[5]Si[4,5]C[3x6])(Si[5]N[5]CC)(CH3){1|Si<4>,2|N<3>,3|C<4>}	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3){1|C<3>,4|C<4>}	104.1030	0.000	1	104.1030	0.000	1	104.1030	0.000	1	104.1030	0.000	1	104.1030	0.000	1	104.1030	0.000	1
562	246	542	5:SP3_SP3_SP3	Si[5]	P[5]	N[5]	3:3:4:4:	3:4:4:	4:4:4:	N[5]-3:P[5]-3:C-4:C-4:	C[5]-3:Si[5]-4:C-4:	Si[4,5]-4:Si[5]-4:Si-4:	Si[5](N[5]Si[4,5]Si)(P[5]C[5]C)(CH3)2	P[5](C[5]Si[4,5]C[3x6])(Si[5]N[5]CC)(CH3)	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3)	Si[5](N[5]Si[4,5]Si)(P[5]C[5]C)(CH3)2{1|C<4>,2|N<3>}	P[5](C[5]Si[4,5]C[3x6])(Si[5]N[5]CC)(CH3){1|Si<4>,2|N<3>,3|C<4>}	N[5](Si[4,5]C[5]N[4]2)(Si[5]P[5]CC)(SiC3){1|C<3>,4|C<4>}	103.5570	0.000	1	103.5570	0.000	1	103.5570	0.000	1	103.5570	0.000	1	103.5570	0.000	1	103.5570	0.000	1
562	246	976	5:SP3_SP3_SP3	Si[5]	P[5,6]	O[5]	3:2:4:4:	3:3:4:	4:4:	P[5,6]-3:O[5]-2:C-4:C-4:	P[6,6]-3:P[5,6]-3:Si[5]-4:	Si[5]-4:Si[5]-4:	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2	P[5,6](P[6,6]Si[6,6]Si[6])(P[5,6]Si[5]Si[6])(Si[5]O[5]CC)	O[5](Si[5]P[5,6]CC)2	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2{3|Si<4>,2|C<4>}	P[5,6](P[6,6]Si[6,6]Si[6])(P[5,6]Si[5]Si[6])(Si[5]O[5]CC){1|O<2>,1|P<3>,8|C<4>}	O[5](Si[5]P[5,6]CC)2{1|Si<4>,1|P<3>}	102.3090	0.000	1	102.3090	0.000	1	102.3090	0.000	1	102.3090	0.000	1	102.2470	0.008	2	102.2470	0.008	2
562	246	976	5:SP3_SP3_SP3	Si[5]	P[5,6]	O[5]	3:2:4:4:	3:4:4:	4:4:	P[5,6]-3:O[5]-2:C-4:C-4:	P[5,6]-3:Si[6]-4:Si[5]-4:	Si[5]-4:Si[5]-4:	Si[5](P[5,6]P[5,6]Si[6])(O[5]Si[5])(CCCH)2	P[5,6](P[5,6]P[6,6]Si[5])(Si[6]P[6,6]CC)(Si[5]O[5]CC)	O[5](Si[5]P[5,6]CC)2	Si[5](P[5,6]P[5,6]Si[6])(O[5]Si[5])(CCCH)2{2|P<3>,4|C<4>}	P[5,6](P[5,6]P[6,6]Si[5])(Si[6]P[6,6]CC)(Si[5]O[5]CC){3|Si<4>,2|C<4>}	O[5](Si[5]P[5,6]CC)2{1|Si<4>,1|P<3>}	102.1850	0.000	1	102.1850	0.000	1	102.1850	0.000	1	102.1850	0.000	1	102.2470	0.008	2	102.2470	0.008	2
562	362	542	5:SP3_SP2_SPD6	Si[5]	C[5x3,6x5,20x6]	N[5]	6:3:3:3:	6:6:6:6:6:4:	4:3:4:	C[5x3,6x5,20x6]-6:N[5]-3:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-4:	Si[5]-4:C[5]-3:C[6]-4:	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(C[6a]C[6a]2)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[6a]2N[5])	N[5](Si[5]C[5x3,6x5,20x6]C[6a]2)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(C[6a]C[6a]2)2{1|N<2>,2|C<4>,4|C<3>,5|B<6>,9|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[6a]2N[5]){1|B<6>,1|C<4>,1|N<2>,4|C<3>,5|H<1>}	N[5](Si[5]C[5x3,6x5,20x6]C[6a]2)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>,6|B<6>}	92.5639	0.000	1	92.5639	0.000	1	92.5639	0.000	1	92.5639	0.000	1	91.6664	1.369	3	91.6664	1.369	3
562	362	542	5:SP3_SP2_SPD6	Si[5]	C[5x3,6x5,20x6]	N[5]	6:3:3:4:	6:6:6:6:6:4:	4:3:4:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:B-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-4:	Si[5]-4:C[5]-3:C-4:	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[5]N[5]B)	N[5](Si[5]C[5x3,6x5,20x6]C[5]B)(C[5]C[5x3,6x5,20x6]N)(CCCH)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[5]N[5]B){1|B<6>,1|C<4>,1|N<2>,2|N<3>,5|H<1>}	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>}	90.3429	0.000	1	90.3429	0.000	1	90.3429	0.000	1	90.3429	0.000	1	91.6664	1.369	3	91.6664	1.369	3
562	362	542	5:SP3_SP2_SPD6	Si[5]	C[5x3,6x5,20x6]	N[5]	6:3:4:1:	6:6:6:6:6:4:	4:3:4:	C[5x3,6x5,20x6]-6:N[5]-3:Si-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-4:	Si[5]-4:C[5]-3:C-4:	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C)(SiSi3)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]N[5]SiH)	N[5](Si[5]C[5x3,6x5,20x6]SiH)(C[5]C[5x3,6x5,20x6]N)(CCCH)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C)(SiSi3)(H){1|N<2>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]N[5]SiH){1|B<6>,1|C<4>,1|N<2>,5|H<1>}	N[5](Si[5]C[5x3,6x5,20x6]SiH)(C[5]C[5x3,6x5,20x6]N)(CCCH){6|B<6>}	92.0925	0.000	1	92.0925	0.000	1	92.0925	0.000	1	92.0925	0.000	1	91.6664	1.369	3	91.6664	1.369	3
562	362	610	0:SP3_SP3_SPD6	Si[5]	C[5x3,6x5,20x6]	B	6:3:3:4:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:B-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[5]N[5]B)	B(Si[5]C[5x3,6x5,20x6]C[5]N[5])(H)3	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[5]N[5]B){1|B<6>,1|C<4>,1|N<2>,2|N<3>,5|H<1>}	B(Si[5]C[5x3,6x5,20x6]C[5]N[5])(H)3	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1
562	362	643	0:SP3_SP2_SPD6	Si[5]	C[5x3,6x5,20x6]	C[6a]	6:3:3:3:	6:6:6:6:6:4:	4:3:3:	C[5x3,6x5,20x6]-6:N[5]-3:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-4:	Si[5]-4:C[6a]-3:C[6a]-3:	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(C[6a]C[6a]2)2	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[6a]2N[5])	C[6a](Si[5]C[5x3,6x5,20x6]C[6a]N[5])(C[6a]C[6a]H)2	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(C[6a]C[6a]2)2{1|N<2>,2|C<4>,4|C<3>,5|B<6>,9|H<1>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[6a]2N[5]){1|B<6>,1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[6a](Si[5]C[5x3,6x5,20x6]C[6a]N[5])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|H<1>,4|B<6>,4|C<3>}	111.5110	3.800	2	111.5110	14.440	2	111.5110	14.440	2	111.5110	14.440	2	111.5110	14.440	2	111.5110	14.440	2
562	362	818	0:SP3_SP2_SPD6	Si[5]	C[5x3,6x5,20x6]	C[5]	6:3:3:4:	6:6:6:6:6:4:	4:3:3:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:B-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-4:	Si[5]-4:N[5]-3:N[5]-3:	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[5]N[5]B)	C[5](Si[5]C[5x3,6x5,20x6]N[5]B)(N[5]C[5]C)2	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]C[5]N[5]B){1|B<6>,1|C<4>,1|N<2>,2|N<3>,5|H<1>}	C[5](Si[5]C[5x3,6x5,20x6]N[5]B)(N[5]C[5]C)2{1|C<3>,1|C<6>,3|C<4>,4|B<6>}	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1	105.4240	0.000	1
562	362	880	0:SP3_SP3_SPD6	Si[5]	C[5x3,6x5,20x6]	Si	6:3:4:1:	6:6:6:6:6:4:	4:4:4:4:	C[5x3,6x5,20x6]-6:N[5]-3:Si-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-4:	Si[5]-4:Si-4:Si-4:Si-4:	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C)(SiSi3)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]N[5]SiH)	Si(Si[5]C[5x3,6x5,20x6]N[5]H)(SiC3)3	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C)(SiSi3)(H){1|N<2>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]N[5]SiH){1|B<6>,1|C<4>,1|N<2>,5|H<1>}	Si(Si[5]C[5x3,6x5,20x6]N[5]H)(SiC3)3	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1
562	362	951	0:SP3_SP-NON_SPD6	Si[5]	C[5x3,6x5,20x6]	H	6:3:4:1:	6:6:6:6:6:4:	4:	C[5x3,6x5,20x6]-6:N[5]-3:Si-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,6x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:Si[5]-4:	Si[5]-4:	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C)(SiSi3)(H)	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]N[5]SiH)	H(Si[5]C[5x3,6x5,20x6]N[5]Si)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C)(SiSi3)(H){1|N<2>,4|H<1>,5|B<6>}	C[5x3,6x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]H)2(C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(Si[5]N[5]SiH){1|B<6>,1|C<4>,1|N<2>,5|H<1>}	H(Si[5]C[5x3,6x5,20x6]N[5]Si)	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1
562	466	466	0:SP3_SP3_SP3	Si[5,6,6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-4:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2{2|C<3>,2|H<1>,8|C<4>}	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	109.2305	0.128	2	109.2305	0.016	2	109.2305	0.016	2	109.2305	0.016	2	109.2305	0.016	2	110.0860	2.204	3
562	466	466	0:SP3_SP3_SP3	Si[5]	C[6,6]	C[6,6]	4:4:3:3:	4:4:4:2:	4:4:4:2:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	Si[5]-4:C[3x6]-4:C[3x6]-4:O-2:	Si[5]-4:C[3x6]-4:C[3x6]-4:O-2:	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH)	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH)	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2{4|H<1>,6|C<3>,8|C<4>}	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH){1|O<2>,4|C<3>,4|C<4>,8|H<1>}	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH){1|O<2>,4|C<3>,4|C<4>,8|H<1>}	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	110.0860	2.204	3
562	466	466	6:SP3_SP3_SP3	Si[5,6]	C[6]	C[6]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|Si<4>,4|C<3>,6|H<1>}	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1
562	466	474	0:SP3_SP3_SP3	Si[5,6]	C[6]	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,5|C<3>}	125.6900	0.000	1	125.6900	0.000	1	125.6900	0.000	1	125.6900	0.000	1	120.9770	44.425	2	120.9770	44.425	2
562	466	474	0:SP3_SP3_SP3	Si[5,6]	C[6]	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,4|C<3>,4|H<1>}	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|B<3>,2|C<4>,3|H<1>,4|C<3>}	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	116.2640	0.000	1	120.9770	44.425	2	120.9770	44.425	2
562	466	474	6:SP3_SP3_SP3	Si[5,6]	C[6]	C[5,6]	4:4:3:4:	4:4:1:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[5,6a]-3:C[6]-4:B-3:	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO)	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,4|C<3>,4|H<1>}	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO){1|C<4>,6|C<3>,7|H<1>}	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1
562	466	542	0:SP3_SP2_SP3	Si[5]	C[6]	N[5]	4:3:3:1:	4:4:3:1:	4:3:4:	C[6]-4:N[5]-3:N[5]-3:I-1:	Si[5]-4:C[6]-4:N[6]-3:H-1:	Si[5]-4:C[5]-3:C-4:	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I)	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[5](Si[5]C[6]N[5]I)(C[5]C[5]H)(CC3)	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I){3|C<4>,4|H<1>}	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[5](Si[5]C[6]N[5]I)(C[5]C[5]H)(CC3){1|N<3>,2|C<4>,2|H<1>}	117.1450	2.811	2	117.1450	7.904	2	117.1450	7.904	2	117.1450	7.904	2	117.1450	7.904	2	117.1450	7.904	2
562	466	542	6:SP3_SP2_SP3	Si[5,6]	C[6]	N[5,6]	3:4:2:2:	4:4:1:1:	4:4:2:	N[5,6]-3:C[6]-4:O[5]-2:O-2:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[6]-4:N[5]-2:	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5])	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC){1|C<3>,2|C<4>,3|H<1>}	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	99.9894	0.267	2	99.9894	0.071	2	99.9894	0.071	2	99.9894	0.071	2	99.9894	0.071	2	99.9894	0.071	2
562	466	643	0:SP3_SP2_SP3	Si[5,6]	C[6]	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[6a]-3:C[6a]-3:	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6a](Si[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	C[6a](Si[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,6|H<1>}	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	110.4210	1.170	2	110.4210	1.170	2
562	466	643	0:SP3_SP2_SP3	Si[5,6]	C[6]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[6a]-3:C[6a]-3:	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[6a](Si[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,4|C<3>,4|H<1>}	C[6a](Si[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|B<3>,2|C<4>,3|C<3>,6|H<1>}	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	110.4210	1.170	2	110.4210	1.170	2
562	466	727	0:SP3_SP2_SP3	Si[5,6]	C[6]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	Si[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|Si<4>,4|C<3>,6|H<1>}	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	114.1077	0.987	4	114.1077	0.974	4	114.1077	0.974	4	114.1077	0.974	4	114.1077	0.974	4	114.1077	0.974	4
562	466	818	0:SP3_SP2_SP3	Si[5,6,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-4:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	Si[5,6,6]-4:C[5]-3:Si[6]-4:	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC)	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2{2|C<3>,2|H<1>,8|C<4>}	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC){1|Si<4>,3|C<3>,3|C<4>,5|H<1>}	120.7858	1.033	4	120.7858	1.067	4	120.7858	1.067	4	120.7858	1.067	4	120.7858	1.067	4	116.4047	54.898	10
562	466	818	0:SP3_SP2_SP3	Si[5]	C[6,6]	C[5]	4:3:3:2:	4:4:4:1:	4:3:3:	C[6,6]-4:C[5]-3:C[5]-3:O-2:	C[3x6]-4:C[3x6]-4:Si[5]-4:H-1:	Si[5]-4:C[5]-3:C[6a]-3:	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH)	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H)	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH){2|H<1>,4|C<4>,6|C<3>}	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H){2|C<4>,4|C<3>,8|H<1>}	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	113.5900	1.492	2	113.5900	2.226	2	113.5900	2.226	2	113.5900	2.226	2	113.4840	72.585	6	116.4047	54.898	10
562	466	818	0:SP3_SP2_SP3	Si[5]	C[6,6]	C[5]	4:4:3:3:	4:4:4:2:	4:3:3:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	Si[5]-4:C[3x6]-4:C[3x6]-4:O-2:	Si[5]-4:C[5]-3:C[6a]-3:	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH)	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	Si[5](C[6,6]C[3x6]2O)2(C[5]C[6a]C[5])2{4|H<1>,6|C<3>,8|C<4>}	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH){1|O<2>,4|C<3>,4|C<4>,8|H<1>}	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<4>,6|C<3>}	113.4310	10.965	4	113.4310	120.222	4	113.4310	120.222	4	113.4310	120.222	4	113.4840	72.585	6	116.4047	54.898	10
562	466	818	6:SP3_SP2_SP3	Si[5,6,6]	C[6]	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-4:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	Si[5,6,6]-4:C[5]-3:Si[6]-4:	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC)	Si[5,6,6](C[5,6]Si[6]C[5])2(C[6]C[6]HH)2{2|C<3>,2|H<1>,8|C<4>}	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC){1|Si<4>,3|C<3>,3|C<4>,5|H<1>}	106.0687	0.625	4	106.0687	0.391	4	106.0687	0.391	4	106.0687	0.391	4	106.0687	0.391	4	105.3316	3.010	5
562	466	818	6:SP3_SP2_SP3	Si[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[5,6a]-3:C[6]-3:	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])	Si[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6](Si[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,6|C<3>,7|H<1>}	102.3830	0.000	1	102.3830	0.000	1	102.3830	0.000	1	102.3830	0.000	1	102.3830	0.000	1	105.3316	3.010	5
562	466	893	0:SP3_SP2_SP3	Si[5,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:O-2:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C-3:	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2	O(Si[5,6]N[5,6]C[6]O[5])(CCN)	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC){1|C<3>,2|C<4>,3|H<1>}	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(Si[5,6]N[5,6]C[6]O[5])(CCN)	114.1660	1.383	2	114.1660	1.913	2	114.1660	1.913	2	114.1660	1.913	2	114.1660	1.913	2	114.1660	1.913	2
562	466	893	0:SP3_SP3_SP3	Si[5]	C[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5]-3:C[5]-3:O-2:	C[3x6]-4:C[3x6]-4:Si[5]-4:H-1:	Si[5]-4:H-1:	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH)	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H)	O(Si[5]C[6,6]C[5]2)(H)	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH){2|H<1>,4|C<4>,6|C<3>}	C[6,6](C[3x6]C[6,6]2H)2(Si[5]C[5]2O)(H){2|C<4>,4|C<3>,8|H<1>}	O(Si[5]C[6,6]C[5]2)(H)	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1
562	466	944	0:SP3_SP-NON_SP3	Si[5]	C[6]	I	4:3:3:1:	4:4:3:1:	4:	C[6]-4:N[5]-3:N[5]-3:I-1:	Si[5]-4:C[6]-4:N[6]-3:H-1:	Si[5]-4:	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I)	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	I(Si[5]C[6]N[5]2)	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I){3|C<4>,4|H<1>}	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	I(Si[5]C[6]N[5]2)	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1
562	466	976	0:SP3_SP2_SP3	Si[5,6]	C[6]	O[5]	3:4:2:2:	4:4:1:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:O-2:	Si[5,6]-4:C[6]-4:H-1:H-1:	Si[5,6]-4:C[5]-3:	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC)	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2	O[5](Si[5,6]N[5,6]C[6]O)(C[5]N[5]C)	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC){1|C<3>,2|C<4>,3|H<1>}	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O[5](Si[5,6]N[5,6]C[6]O)(C[5]N[5]C){2|C<4>,2|H<1>}	132.5270	1.921	2	132.5270	3.688	2	132.5270	3.688	2	132.5270	3.688	2	132.5270	3.688	2	132.5270	3.688	2
562	474	474	0:SP3_SP3_SP3	Si[3x5]	C[5,5,6]	C[5]	4:4:4:4:	3:4:3:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	117.9265	1.942	2	117.9265	3.773	2	117.9265	3.773	2	117.9265	3.773	2	119.9137	18.838	4	119.8077	24.177	11
562	474	474	0:SP3_SP3_SP3	Si[3x5]	C[5,5,6]	C[5]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	121.9010	6.078	2	121.9010	36.946	2	121.9010	36.946	2	121.9010	36.946	2	119.9137	18.838	4	119.8077	24.177	11
562	474	474	0:SP3_SP3_SP3	Si[5,5]	C[5,6]	C[5]	4:4:4:2:	4:3:3:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5])	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,5|H<1>}	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,3|C<3>,3|H<1>}	122.9850	5.524	2	122.9850	30.514	2	122.9850	30.514	2	122.9850	30.514	2	122.9850	30.514	2	119.8077	24.177	11
562	474	474	0:SP3_SP3_SP3	Si[5,5]	C[5]	C[5]	4:4:3:4:	3:4:4:4:	4:4:4:4:	Si[5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:Si[5,5]-4:C-4:C-4:	Si[5,5]-4:C[5]-4:C-4:C-4:	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2{1|N<2>,2|H<1>,3|C<3>,4|C<4>}	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|N<2>,3|C<3>,4|C<4>}	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	119.8077	24.177	11
562	474	474	0:SP3_SP3_SP3	Si[5,6]	C[5,6,6]	C[5]	4:4:4:2:	4:3:4:1:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6])	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6]){1|Si<4>,1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,3|H<1>}	123.2225	2.717	2	123.2225	7.384	2	123.2225	7.384	2	123.2225	7.384	2	123.2225	7.384	2	119.8077	24.177	11
562	474	474	0:SP3_SP3_SP3	Si[5]	C[5]	C[5]	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:C[5]-4:	Si[5]-4:C[5]-4:C[5]-3:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	112.6255	0.238	2	112.6255	0.057	2	112.6255	0.057	2	112.6255	0.057	2	112.6255	0.057	2	119.8077	24.177	11
562	474	474	5:SP3_SP3_SP3	Si[3x5]	C[5,5,6]	C[5,5,6]	4:4:4:4:	4:4:3:1:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	C[5,6,6]-3:Si[3x5]-4:C[5,6]-3:H-1:	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6])(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){5|Si<4>,2|C<3>,2|C<4>,3|H<1>}	78.8682	0.000	1	78.8682	0.000	1	78.8682	0.000	1	78.8682	0.000	1	78.8682	0.000	1	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[3x5]	C[5]	C[5]	4:4:4:4:	4:4:4:4:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	99.2592	0.000	1	99.2592	0.000	1	99.2592	0.000	1	99.2592	0.000	1	99.2592	0.000	1	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:1:	3:3:4:1:	3:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H)	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(H){2|C<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H){3|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H){3|H<1>,6|C<3>}	80.4644	0.000	1	80.4644	0.000	1	80.4644	0.000	1	80.4644	0.000	1	80.6916	0.103	2	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:4:	3:3:4:1:	3:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H)	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3){8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H){3|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H){3|H<1>,6|C<3>}	80.9187	0.000	1	80.9187	0.000	1	80.9187	0.000	1	80.9187	0.000	1	80.6916	0.103	2	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,5]	C[5]	C[5,5]	4:4:3:4:	4:4:4:4:	4:4:3:4:	C[5,5]-4:C[5]-4:N[5]-3:Si-4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5]-4:C[5]-4:C[5]-3:Si-4:	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3)	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3)	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3){1|Si<4>,4|H<1>}	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|N<2>,3|H<1>}	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3){2|Si<4>,3|H<1>}	96.1118	0.000	1	96.1118	0.000	1	96.1118	0.000	1	96.1118	0.000	1	96.1118	0.000	1	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,5]	C[5]	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-3:C[5]-4:C[5]-4:	Si[5,5]-4:C[5]-4:H-1:H-1:	Si[5,5]-4:C[5]-4:H-1:H-1:	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2{2|N<2>,4|C<3>,4|H<1>}	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	95.7374	0.000	1	95.7374	0.000	1	95.7374	0.000	1	95.7374	0.000	1	99.8944	4.470	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,5]	C[5]	C[5]	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5])	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,6|H<1>}	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	99.7731	0.000	1	99.7731	0.000	1	99.7731	0.000	1	100.4151	0.824	2	99.8944	4.470	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,5]	C[5]	C[5]	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5])	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5]){3|C<3>,4|H<1>}	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|N<2>,2|C<3>,2|H<1>}	101.0570	0.000	1	101.0570	0.000	1	101.0570	0.000	1	100.4151	0.824	2	99.8944	4.470	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,5]	C[5]	C[5]	4:4:2:2:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:S[5]-2:S[5]-2:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5](C[5]C[5]Si2)2(S[5]S[5])2	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5]C[5]Si2)2(S[5]S[5])2{4|H<1>}	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,2|S<2>}	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,2|S<2>}	100.6775	0.271	2	100.6775	0.073	2	100.6775	0.073	2	100.6775	0.073	2	99.8944	4.470	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,5]	C[5]	C[5]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5])	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,5|H<1>}	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,3|C<3>,3|H<1>}	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,3|C<3>,3|H<1>}	101.4440	0.000	1	101.4440	0.000	1	101.4440	0.000	1	101.4440	0.000	1	99.8944	4.470	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,6]	C[5,6]	C[5]	4:4:3:4:	4:3:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6a]-3:C[6]-4:	Si[5,6]-4:C[5,6a]-3:C[6]-4:B-3:	Si[5,6]-4:C[5,6a]-3:H-1:H-1:	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO)	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	Si[5,6](C[5,6]C[5,6a]C[6]B)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(BOO){1|C<4>,6|C<3>,7|H<1>}	C[5](Si[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|B<3>,2|C<4>,3|H<1>,4|C<3>}	95.4422	0.000	1	95.4422	0.000	1	95.4422	0.000	1	95.4422	0.000	1	95.4422	0.000	1	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,6]	C[5]	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:1:	N[6]-3:N[6]-3:C[5]-4:C[5]-4:	Si[5,6]-4:C[5]-3:H-1:H-1:	Si[5,6]-4:C[5]-3:H-1:H-1:	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2{3|C<4>,6|C<3>}	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	94.8853	0.000	1	94.8853	0.000	1	94.8853	0.000	1	94.8853	0.000	1	98.8600	5.960	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,6]	C[5]	C[5]	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[6,6a]-3:C[5]-4:C[5]-4:O[6]-2:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6])	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6]){4|C<3>,5|H<1>}	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<3>}	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<3>}	99.4501	0.000	1	99.4501	0.000	1	99.4501	0.000	1	99.4501	0.000	1	98.8600	5.960	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,6]	C[5]	C[5]	4:4:2:2:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:N[6]-2:O[6]-2:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6])	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6]){2|C<3>,4|H<1>}	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|N<2>,2|H<1>}	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|N<2>,2|H<1>}	102.4590	0.000	1	102.4590	0.000	1	102.4590	0.000	1	102.4590	0.000	1	98.8600	5.960	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,6]	C[5]	C[5]	4:4:3:3:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	98.6066	0.000	1	98.4612	0.042	2	98.4612	0.042	2	98.4612	0.042	2	98.8600	5.960	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,6]	C[5]	C[5]	4:4:3:3:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2{2|C<3>,5|H<1>}	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	98.3158	0.000	1	98.4612	0.042	2	98.4612	0.042	2	98.4612	0.042	2	98.8600	5.960	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5,6]	C[5]	C[5]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5,6,6]-4:C[5]-4:C[5]-4:O[6]-2:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6])	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6]){1|Si<4>,1|C<4>,3|C<3>,5|H<1>}	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,3|H<1>}	99.4432	0.000	1	99.4432	0.000	1	99.4432	0.000	1	99.4432	0.000	1	98.8600	5.960	6	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5,5,6,6]	C[5]	4:3:3:4:	3:3:4:4:	4:4:1:1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:Si[5]-4:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5])	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH){11|C<3>,1|H<1>,4|C<4>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5]){13|C<3>,3|H<1>}	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2{10|C<3>}	89.1130	0.000	1	89.1130	0.000	1	89.1130	0.000	1	89.1130	0.000	1	89.1130	0.000	1	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:C[5]-4:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	96.6394	0.000	1	96.6394	0.000	1	96.6394	0.000	1	96.6394	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5](C[5]C[5]HH)2(Cl)2	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]HH)2(Cl)2{4|H<1>}	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2{4|H<1>}	98.5736	0.219	2	98.5736	0.048	2	98.5736	0.048	2	98.5736	0.048	2	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:O-2:O-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5](C[5]C[5]Si2)2(OC)(O)	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(OC)(O){4|H<1>}	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	102.2330	0.000	1	102.2330	0.000	1	102.2330	0.000	1	102.2330	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:2:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:O-2:O-2:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5](C[5]C[5]HH)2(OC[6a])(OC)	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]HH)2(OC[6a])(OC){4|H<1>}	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2{4|H<1>}	92.1765	0.051	2	92.1765	0.003	2	92.1765	0.003	2	92.1765	0.003	2	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:3:1:	4:3:4:3:	4:3:3:4:	C[5]-4:C[5]-4:N[6]-3:O-1:	Si[5]-4:C[6a]-3:C[5]-4:C[6]-3:	Si[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O)	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH)	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O){10|C<3>,6|H<1>}	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2){6|H<1>,8|C<3>}	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,8|C<3>}	96.7678	0.000	1	96.7678	0.000	1	96.7678	0.000	1	96.7678	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:N-3:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5](C[5]C[5]Si2)2(NCC)(H)	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(NCC)(H){4|H<1>}	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	101.2280	0.000	1	101.2280	0.000	1	101.2280	0.000	1	101.2280	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:3:2:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:C-3:N-2:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5](C[5]C[5]Si2)2(CCH)(NC)	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(CCH)(NC){4|H<1>}	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	100.7780	0.000	1	100.7780	0.000	1	100.7780	0.000	1	100.7780	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:3:3:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:H-1:	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H)	Si[5](C[5]C[5,6a]C[6a]H)2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2C[5])(C[6a]C[6a]2)(H){4|H<1>,9|C<3>}	90.6725	0.000	1	90.6725	0.000	1	90.6725	0.000	1	90.6725	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:3:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-3:N-3:	Si[5]-4:C[5]-3:H-1:H-1:	Si[5]-4:C[5]-3:H-1:H-1:	Si[5](C[5]C[5]HH)2(NCC)2	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2	Si[5](C[5]C[5]HH)2(NCC)2{2|C<4>}	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	94.3231	0.000	1	94.3231	0.000	1	94.3231	0.000	1	94.3231	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:3:3:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:N-3:N-3:	Si[5]-4:C[6a]-3:C[5]-3:H-1:	Si[5]-4:C[6a]-3:C[5]-3:H-1:	Si[5](C[5]C[6a]C[5]H)2(NCC)2	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	Si[5](C[5]C[6a]C[5]H)2(NCC)2{2|H<1>,4|C<3>}	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	95.1940	0.000	1	95.1940	0.000	1	95.1940	0.000	1	95.1940	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:3:3:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:Si[5]-4:H-1:H-1:	C[3,5]-4:Si[5]-4:H-1:H-1:	Si[5](C[5]C[3,5]HH)2(C[6a]C[6a]2)2	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2	Si[5](C[5]C[3,5]HH)2(C[6a]C[6a]2)2{1|N<3>,4|C<3>,6|H<1>}	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2{1|S<4>,3|H<1>,4|C<3>}	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2{1|S<4>,3|H<1>,4|C<3>}	96.3166	0.308	3	96.3166	0.095	3	96.3166	0.095	3	96.3166	0.095	3	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-3:Si-4:	Si[5]-4:C[5]-3:H-1:H-1:	Si[5]-4:C[5]-3:H-1:H-1:	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3)	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3){2|C<4>}	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	94.4973	0.000	1	94.4973	0.000	1	94.4973	0.000	1	94.4973	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:Cl-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5](C[5]C[5]Si2)2(SiC[6a]Cl2)(Cl)	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(SiC[6a]Cl2)(Cl){4|H<1>}	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	100.5420	0.000	1	100.5420	0.000	1	100.8256	0.066	5	100.7632	0.076	6	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:Cl-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5](C[5]C[5]Si2)2(SiCl2Si)(Cl)	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(SiCl2Si)(Cl){4|H<1>}	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	100.8965	0.233	4	100.8965	0.054	4	100.8256	0.066	5	100.7632	0.076	6	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5](C[5]C[5]Si2)2(SiSiOO)(H)	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(SiSiOO)(H){4|H<1>}	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	100.4510	0.000	1	100.4510	0.000	1	100.4510	0.000	1	100.7632	0.076	6	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:4:2:	4:4:4:4:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:O-2:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5]-4:C[5]-4:Si-4:Si-4:	Si[5](C[5]C[5]Si2)2(SiSiHH)(OC)	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2	Si[5](C[5]C[5]Si2)2(SiSiHH)(OC){4|H<1>}	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	99.6144	0.000	1	99.6144	0.000	1	99.6144	0.000	1	99.6144	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:H-1:H-1:	Si[5](C[5]C[5,6a]HH)2(CH3)2	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2	Si[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	95.3628	0.365	3	95.3628	0.133	3	95.3628	0.133	3	95.3628	0.133	3	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:C-4:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:N[5]-3:H-1:H-1:	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	92.5318	0.567	2	92.5318	0.322	2	92.5318	0.322	2	92.5318	0.322	2	96.8122	13.095	29	96.2554	29.693	48
562	474	474	5:SP3_SP3_SP3	Si[5]	C[5]	C[5]	4:4:4:4:	5:4:1:1:	5:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[3x3,4,3x5,9x6]-5:Si[5]-4:H-1:H-1:	C[3x3,4,3x5,9x6]-5:Si[5]-4:H-1:H-1:	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2{1|B<7>,4|B<6>}	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2{5|H<1>,6|B<6>}	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2{5|H<1>,6|B<6>}	89.4260	0.000	1	89.4260	0.000	1	89.4260	0.000	1	89.4260	0.000	1	96.8122	13.095	29	96.2554	29.693	48
562	474	490	0:SP3_SP3_SP3	Si[5,5]	C[5,5,6]	C	4:4:3:4:	3:3:4:1:	4:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	Si[5,5]-4:H-1:H-1:H-1:	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H)	C(Si[5,5]C[5,5,6]2C[6a])(H)3	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(C[6a]C[6a]2)(CH3){8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H){3|H<1>,6|C<3>}	C(Si[5,5]C[5,5,6]2C[6a])(H)3	111.6790	1.356	2	111.6790	1.839	2	111.6790	1.839	2	111.6790	1.839	2	111.6790	1.839	2	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5,5,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	C(Si[5]C[5,5,6]O[5]C)(H)3	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2{2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	C(Si[5]C[5,5,6]O[5]C)(H)3	112.6150	2.508	4	112.6150	6.290	4	112.6150	6.290	4	112.6150	6.290	4	112.6150	6.290	4	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5,5]	C	3:4:4:4:	3:3:4:2:	4:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:O[5]-2:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]CC)(O[5]C[5,6a])	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2O[5])(CH3)2{1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]CC)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C(Si[5]C[5,6a]C[5,5]C)(H)3	113.7115	0.194	2	113.7115	0.038	2	113.7115	0.038	2	113.7115	0.038	2	113.1567	9.219	18	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5,5]	C	3:4:4:4:	4:4:2:4:	4:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	Si[5]-4:Si[5]-4:Si[5]-2:C[5]-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH)	C(Si[5]C[5,6a]C[5,5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2{2|C<3>,3|H<1>,4|C<4>}	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH){2|Si<4>,2|C<3>,2|H<1>}	C(Si[5]C[5,6a]C[5,5]C)(H)3	113.4840	3.079	8	113.4840	9.482	8	113.4840	9.482	8	113.4840	9.482	8	113.1567	9.219	18	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5,5]	C	4:2:4:4:	3:4:3:3:	4:1:1:1:	C[5,5]-4:N[5]-2:C-4:C-4:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,2|H<1>,5|C<3>}	C(Si[5]C[5,5]N[5]C)(H)3	114.5600	6.616	2	114.5600	43.767	2	114.5600	43.767	2	114.5600	43.767	2	113.1567	9.219	18	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5,5]	C	4:3:4:4:	3:4:3:3:	4:1:1:1:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	C(Si[5]C[5,5]N[5]C)(H)3	114.8515	3.277	2	114.8515	10.742	2	114.8515	10.742	2	114.8515	10.742	2	113.1567	9.219	18	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5,5]	C	4:3:4:4:	3:4:3:4:	4:1:1:1:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	C(Si[5]C[5,5]N[5]C)(H)3	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>}	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	C(Si[5]C[5,5]N[5]C)(H)3	110.6755	0.094	4	110.6755	0.009	4	110.6755	0.009	4	110.6755	0.009	4	113.1567	9.219	18	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5,6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6,6]-4:Si[5]-4:C[6]-3:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H)	C(Si[5]C[5,6]O[5]C)(H)3	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C(Si[5]C[5,6]O[5]C)(H)3	112.5215	4.861	2	112.5215	23.633	2	112.5215	23.633	2	112.5215	23.633	2	112.5215	23.633	2	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:3:4:4:	3:4:3:1:	4:4:1:1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:Si[5]-4:C[5]-3:H-1:	Si[5]-4:C-4:H-1:H-1:	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H)	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	Si[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]H)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:2:	4:4:1:1:	4:4:4:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC)	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C(Si[5]C[5,6a]C[5]O)(CH3)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC){2|C<3>,3|H<1>}	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C(Si[5]C[5,6a]C[5]O)(CH3)3	115.6190	0.455	2	115.6190	0.207	2	115.6190	0.207	2	115.6190	0.207	2	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	P[5]-3:C[5]-4:C-4:C-3:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH){2|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,2|C<4>}	C(Si[5]C[5]P[5]C)(H)3	106.5770	0.000	1	106.5770	0.000	1	106.5770	0.000	1	106.5770	0.000	1	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	Si[5]-4:O[5]-2:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{1|H<1>,2|C<3>}	C[5](Si[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C(Si[5]C[5,6a]C[5]C)(H)3	113.4675	0.439	2	113.4675	0.193	2	113.4675	0.193	2	113.4675	0.193	2	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	Si[5]-4:C[6a]-3:S[5]-2:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)2{1|H<1>,4|C<3>}	C[5](Si[5]C[5,6a]CC)(C[6a]C[6a]2)(S[5]C[5,6a])(H){2|H<1>,4|C<3>}	C(Si[5]C[5,6a]C[5]C)(H)3	111.6210	1.870	2	111.6210	3.495	2	111.6210	3.495	2	111.6210	3.495	2	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	Ga[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]HH)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(H)2{2|C<3>}	C(Si[5]C[5,6]C[5]C)(H)3	113.0750	0.328	2	113.0750	0.108	2	113.0750	0.108	2	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6a]-3:C[5]-4:C-4:C-4:	Si[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2	C[5](Si[5]C[5,6a]CC)2(H)2	C(Si[5]C[5,6a]C[5]C)(H)3	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](Si[5]C[5,6a]CC)2(H)2{2|C<3>}	C(Si[5]C[5,6a]C[5]C)(H)3	113.0522	1.903	12	113.0522	3.621	12	113.0522	3.621	12	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<3>}	C(Si[5]C[5]2C)(H)3	113.6595	1.573	2	113.2587	1.283	4	113.2587	1.283	4	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|H<1>}	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>}	C(Si[5]C[5]2C)(H)3	112.8580	0.856	2	113.2587	1.283	4	113.2587	1.283	4	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	P[5,5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	C(Si[5]N[5,5]C[5]C)(H)3	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|N<3>,1|P<4>,3|C<3>,4|C<4>}	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	C(Si[5]N[5,5]C[5]C)(H)3	107.2534	1.456	8	107.2534	2.120	8	107.0165	3.397	23	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[5,5]-3:C[5]-4:C-4:C-4:	P[5,5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	C(Si[5]N[5,5]C[5]C)(H)3	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,4|C<4>}	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C(Si[5]N[5,5]C[5]C)(H)3	106.8902	2.057	15	106.8902	4.230	15	107.0165	3.397	23	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:C[5]-4:C-4:C-4:	P[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2	C(Si[5]C[5]N[5]C)(H)3	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2{1|Co<7>,1|H<1>,2|C<4>}	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2{1|Co<7>,1|Si<4>,1|H<1>}	C(Si[5]C[5]N[5]C)(H)3	108.1610	2.734	2	108.1610	7.473	2	108.1610	7.473	2	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	P[5]-3:C[5]-4:C-4:C-4:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,1|C<3>,1|C<4>}	C(Si[5]C[5]P[5]C)(H)3	107.0580	0.699	2	107.0580	0.488	2	109.5054	2.703	10	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	P[5]-3:C[5]-4:C-4:C-4:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C(Si[5]C[5]P[5]C)(H)3	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Si<4>,2|C<4>}	C(Si[5]C[5]P[5]C)(H)3	110.1172	1.126	8	110.1172	1.267	8	109.5054	2.703	10	109.5956	10.169	53	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:4:4:1:	N[5]-3:C[5]-4:C-4:C-4:	P[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	C(Si[5]C[5]N[5]C)(CH3)2(H)	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Br<1>,4|C<3>}	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Br<1>,5|C<3>}	C(Si[5]C[5]N[5]C)(CH3)2(H)	108.6485	2.949	4	108.7097	5.291	8	108.7097	5.291	8	108.7097	5.291	8	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:1:1:	4:4:4:1:	N[5]-3:C[5]-4:C-4:C-4:	P[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	C(Si[5]C[5]N[5]C)(CH3)2(H)	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Cl<1>,4|C<3>}	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Cl<1>,5|C<3>}	C(Si[5]C[5]N[5]C)(CH3)2(H)	108.7710	1.907	4	108.7097	5.291	8	108.7097	5.291	8	108.7097	5.291	8	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	C(Si[5]C[5,5a]C[5]C)(H)3	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2{1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C(Si[5]C[5,5a]C[5]C)(H)3	112.4250	1.724	2	112.4250	2.972	2	112.4250	2.972	2	112.4250	2.972	2	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](Ga[5]N[5,6]C[5]2)(Si[5]C[5,6]CC)(SiC3)2{2|H<1>,6|C<3>}	C(Si[5]C[5,6]C[5]C)(H)3	117.7470	0.843	2	117.7470	0.710	2	117.2668	1.916	4	116.3098	2.441	8	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	Ga[5]-4:Si[5]-4:Si-4:Si-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5](Ga[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	C(Si[5]C[5,6]C[5]C)(H)3	116.7865	2.029	2	116.7865	4.116	2	117.2668	1.916	4	116.3098	2.441	8	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	In[5]-4:Si[5]-4:Si-4:Si-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	C[5](In[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5](In[5]N[5,6]Cl2)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	C(Si[5]C[5,6]C[5]C)(H)3	115.1390	1.556	2	115.1390	2.420	2	115.3528	1.336	4	116.3098	2.441	8	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	In[5]-4:Si[5]-4:Si-4:Si-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2	C[5](In[5]N[5,6]II)(Si[5]C[5,6]CC)(SiC3)2	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]In[5]Si2)(CH3)2{1|H<1>,2|C<3>,2|I<1>}	C[5](In[5]N[5,6]II)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>}	C(Si[5]C[5,6]C[5]C)(H)3	115.5665	1.186	2	115.5665	1.406	2	115.3528	1.336	4	116.3098	2.441	8	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	3:4:4:4:	5:4:4:4:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	Ga[5]-5:Si[5]-4:Si-4:Si-4:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2	C[5](Ga[5]N[5,6]C[5]2Fe)(Si[5]C[5,6]CC)(SiC3)2	C(Si[5]C[5,6]C[5]C)(H)3	Si[5](C[5,6]N[5,6]C[6])(C[5]Ga[5]Si2)(CH3)2{1|Fe<11>,1|H<1>,2|C<3>,2|C<4>}	C[5](Ga[5]N[5,6]C[5]2Fe)(Si[5]C[5,6]CC)(SiC3)2{2|C<3>,4|C<4>}	C(Si[5]C[5,6]C[5]C)(H)3	117.3990	1.682	4	117.3990	2.831	4	117.3990	2.831	4	117.3990	2.831	4	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	N[5,6]-3:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|O<1>,2|C<4>}	C(Si[5]C[5]O[5]C)(H)3	117.3825	2.423	4	118.7865	6.136	8	118.7865	6.136	8	118.7865	6.136	8	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	N[5,6]-3:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2{2|C<4>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(Si[5]C[5]O[5]C)(H)3	120.1905	1.786	4	118.7865	6.136	8	118.7865	6.136	8	118.7865	6.136	8	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	3:4:3:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	N[5,6]-3:Si[5]-4:N[6a]-3:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]N[5,6]N[6a]H)(O[5]C[5,6])(CH3)2	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H)	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5,6]N[6a]H)(O[5]C[5,6])(CH3)2{4|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C(Si[5]C[5]O[5]C)(H)3	122.3665	14.495	2	122.3665	210.105	2	122.3665	210.105	2	122.3665	210.105	2	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:O[5]-2:C-4:C-4:	Si[5]-4:N[5]-3:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2	C(Si[5]C[5]O[5]C)(H)3	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2{2|C<4>}	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2{1|C<4>}	C(Si[5]C[5]O[5]C)(H)3	115.4050	1.530	2	115.4050	2.341	2	115.4050	2.341	2	115.4050	2.341	2	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	4:4:3:1:	4:4:4:1:	C[5]-4:O[5]-2:C-4:C-4:	Si[5]-4:C[5]-4:C-3:H-1:	Si[5]-4:C-4:C-4:H-1:	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H)	C(Si[5]C[5]O[5]C)(CH3)2(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2{1|C<4>,3|H<1>}	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(Si[5]C[5]O[5]C)(CH3)2(H)	114.5374	2.187	10	114.5374	4.782	10	114.5374	4.782	10	114.5374	4.782	10	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	4:4:3:1:	4:4:4:4:	C[5]-4:O[5]-2:C-4:C-4:	Si[5]-4:C[5]-4:C-3:H-1:	Si[5]-4:C-4:C-4:C-4:	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H)	C(Si[5]C[5]O[5]C)(CH3)3	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<3>,1|H<1>,2|C<4>}	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H){1|C<3>,1|H<1>}	C(Si[5]C[5]O[5]C)(CH3)3	114.2225	9.364	2	114.2225	87.689	2	113.5035	27.947	6	113.5035	27.947	6	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	4:4:3:1:	4:4:4:4:	C[5]-4:O[5]-2:C-4:C-4:	Si[5]-4:C[5]-4:C-3:H-1:	Si[5]-4:C-4:C-4:C-4:	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H)	C(Si[5]C[5]O[5]C)(CH3)3	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<3>,1|C<4>,2|H<1>}	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H){1|C<3>,1|H<1>}	C(Si[5]C[5]O[5]C)(CH3)3	113.1775	4.504	2	113.1775	20.282	2	113.5035	27.947	6	113.5035	27.947	6	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	4:4:3:1:	4:4:4:4:	C[5]-4:O[5]-2:C-4:C-4:	Si[5]-4:C[5]-4:C-3:H-1:	Si[5]-4:C-4:C-4:C-4:	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	C(Si[5]C[5]O[5]C)(CH3)3	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<4>,1|O<2>,2|H<1>}	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	C(Si[5]C[5]O[5]C)(CH3)3	113.1105	5.496	2	113.1105	30.210	2	113.5035	27.947	6	113.5035	27.947	6	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	4:4:4:1:	4:4:4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6]-4:Si[5]-4:C-4:H-1:	Si[5]-4:C-4:C-4:C-4:	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C(Si[5]C[5]O[5]C)(CH3)3	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(Si[5]C[5]O[5]C)(CH3)3	114.3030	3.758	2	114.1555	11.101	4	114.1555	11.101	4	114.1555	11.101	4	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:2:4:4:	4:4:4:1:	4:4:4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6]-4:Si[5]-4:C-4:H-1:	Si[5]-4:C-4:C-4:C-4:	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	C(Si[5]C[5]O[5]C)(CH3)3	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(Si[5]C[5]O[5]C)(CH3)3	114.0080	4.370	2	114.1555	11.101	4	114.1555	11.101	4	114.1555	11.101	4	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:Si[5]-4:Si-4:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	C(Si[5]C[5]2O)(H)3	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC){2|Si<4>,2|H<1>}	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	C(Si[5]C[5]2O)(H)3	116.4905	2.232	2	116.4905	4.983	2	116.4905	4.983	2	116.4905	4.983	2	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<2>,2|C<4>}	C(Si[5]C[5]N[5]C)(H)3	111.8714	2.330	16	111.9333	4.883	20	111.9333	4.883	20	111.9333	4.883	20	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	C(Si[5]C[5]N[5]C)(H)3	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<3>,2|C<4>}	C(Si[5]C[5]N[5]C)(H)3	112.1805	1.920	4	111.9333	4.883	20	111.9333	4.883	20	111.9333	4.883	20	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[5,6a]HH)2(CH3)2	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	C[5](C[5,6a]C[5,6a]2)(Si[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(Si[5]C[5]2C)(H)3	113.1547	1.544	12	113.1547	2.384	12	113.1547	2.384	12	113.1547	2.384	12	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	Si[5]-4:N[5]-3:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(Si[5]C[5]2C)(H)3	112.5367	0.591	4	112.5367	0.350	4	112.5367	0.350	4	112.5367	0.350	4	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	Si[5]-4:C[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C(Si[5]C[5]2C)(H)3	113.4190	0.501	4	113.4190	0.251	4	113.4190	0.251	4	111.3466	2.989	12	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	Si[5,5]-4:C[5]-4:C-4:C-4:	Si[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2	C[5](Si[5]Si[5,5]CC)2(H)2	C(Si[5]Si[5,5]C[5]C)(H)3	Si[5](Si[5,5]Si[5,5]Si[5]Si)(C[5]Si[5]HH)(CH3)2{2|Si<4>,5|C<4>}	C[5](Si[5]Si[5,5]CC)2(H)2{4|Si<4>}	C(Si[5]Si[5,5]C[5]C)(H)3	110.3104	0.953	8	110.3104	0.908	8	110.3104	0.908	8	111.3466	2.989	12	112.2924	16.184	169	112.3748	15.121	195
562	474	490	0:SP3_SP3_SP3	Si[5]	C[5]	C	4:4:4:4:	5:4:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C[3x3,4,3x5,9x6]-5:Si[5]-4:H-1:H-1:	Si[5]-4:H-1:H-1:H-1:	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2	C(Si[5]C[5]2C)(H)3	Si[5](C[5]C[3x3,4,3x5,9x6]HH)2(CH3)2{1|B<7>,4|B<6>}	C[5](C[3x3,4,3x5,9x6]B[4x3,4,6x5,20x6]C[3x3,4,3x5,9x6]B[5x3,4x5,15x6]B[6x3,7x5,24x6])(Si[5]C[5]CC)(H)2{5|H<1>,6|B<6>}	C(Si[5]C[5]2C)(H)3	113.2438	1.097	4	113.2438	1.203	4	113.2438	1.203	4	113.2438	1.203	4	112.2924	16.184	169	112.3748	15.121	195
562	474	542	0:SP3_SP2_SP3	Si[3x5]	C[5,5,6]	N[5]	4:3:3:3:	4:2:2:4:	4:3:4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	Si[3x5]-4:C[5,6a]-3:C-4:	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2{2|C<3>,2|C<4>}	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	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>}	116.6980	3.872	2	116.6980	14.993	2	116.6980	14.993	2	116.2602	5.306	4	116.2602	5.306	4	116.2330	3.983	5
562	474	542	0:SP3_SP2_SP3	Si[3x5]	C[5,5,6]	N[5]	4:3:3:3:	4:2:2:4:	4:3:4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	Si[3x5]-4:P[5,6]-2:P[5,6]-2:C-4:	Si[3x5]-4:C[5]-3:C-4:	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3)	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5]C[5]H)(CC3)	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2{2|C<4>,2|H<1>}	C[5,5,6](Si[3x5]P[5,5,6]N[5]2)(P[5,6]C[5,6])2(CC3){2|C<3>,4|C<4>}	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>}	115.8225	0.397	2	115.8225	0.157	2	115.8225	0.157	2	116.2602	5.306	4	116.2602	5.306	4	116.2330	3.983	5
562	474	542	0:SP3_SP2_SP3	Si[5,5]	C[5]	N[5]	4:4:3:4:	4:4:4:4:	4:2:1:	C[5,5]-4:C[5]-4:N[5]-3:Si-4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	Si[5,5]-4:N[5]-2:H-1:	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3)	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2	N[5](Si[5,5]C[5,5]C[5]Si)(N[5]C[5])(H)	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3){1|Si<4>,4|H<1>}	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|N<2>,3|H<1>}	N[5](Si[5,5]C[5,5]C[5]Si)(N[5]C[5])(H){4|Si<4>,2|C<4>}	116.1240	0.000	1	116.1240	0.000	1	116.1240	0.000	1	116.1240	0.000	1	116.1240	0.000	1	116.2330	3.983	5
562	474	542	5:SP3_SP2_SP3	Si[5,5]	C[5,5]	N[5]	4:4:3:4:	4:4:3:4:	4:2:1:	C[5,5]-4:C[5]-4:N[5]-3:Si-4:	Si[5,5]-4:C[5]-4:C[5]-3:Si-4:	Si[5,5]-4:N[5]-2:H-1:	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3)	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3)	N[5](Si[5,5]C[5,5]C[5]Si)(N[5]C[5])(H)	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3){1|Si<4>,4|H<1>}	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3){2|Si<4>,3|H<1>}	N[5](Si[5,5]C[5,5]C[5]Si)(N[5]C[5])(H){4|Si<4>,2|C<4>}	89.2623	0.000	1	89.2623	0.000	1	89.2623	0.000	1	89.2623	0.000	1	89.2623	0.000	1	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5,6]	C[5,6]	N[5]	4:3:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:N[6]-3:N[6]-3:N[5]-3:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	Si[5,6]-4:C[5]-3:N-3:	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N)	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	N[5](Si[5,6]C[5,6]N[6]2)(C[5]C[5,6]C[6a])(NHH)	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N){1|C<4>,1|H<1>,9|C<3>}	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	N[5](Si[5,6]C[5,6]N[6]2)(C[5]C[5,6]C[6a])(NHH){1|H<1>,8|C<3>}	91.4960	0.000	1	91.4960	0.000	1	91.4960	0.000	1	91.4960	0.000	1	91.4960	0.000	1	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5,5]	N[5]	4:3:4:4:	3:4:3:3:	4:3:1:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5]-3:Si[5]-4:C[5,5]-3:C[6a]-3:	Si[5]-4:C[5]-3:H-1:	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2)	N[5](Si[5]C[5,5]CC)(C[5]C[5,5]C)(H)	Si[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]N[5])(Si[5]N[5]CC)(C[5,5]C[5]2)(C[6a]C[6a]2){1|Zr<14>,1|C<4>,3|H<1>,5|C<3>}	N[5](Si[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,2|C<3>}	90.6446	0.000	1	90.6446	0.000	1	90.6446	0.000	1	90.6446	0.000	1	95.7545	19.584	3	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5,5]	N[5]	4:3:4:4:	3:4:3:4:	4:3:4:	C[5,5]-4:N[5]-3:C-4:C-4:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	Si[5]-4:P[5]-3:C-4:	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3)	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>}	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	98.3095	0.000	2	98.3095	0.000	2	98.3095	0.000	2	98.3095	0.000	2	95.7545	19.584	3	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5]	N[5,5]	3:4:4:4:	4:4:1:1:	6:4:4:	N[5,5]-3:C[5]-4:C-4:C-4:	P[5,5]-4:Si[5]-4:H-1:H-1:	Nb[3,4x5]-6:Si[5]-4:Si[5]-4:	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	N[5,5](Nb[3,4x5]N[5,5]P[5,5]2C[3]2)(Si[5]C[5]CC)2	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|N<3>,1|P<4>,3|C<3>,4|C<4>}	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	N[5,5](Nb[3,4x5]N[5,5]P[5,5]2C[3]2)(Si[5]C[5]CC)2{2|Si<4>,2|C<4>,3|C<3>,5|H<1>}	108.8625	0.831	2	108.8625	0.690	2	108.8625	0.690	2	108.8625	0.690	2	108.8625	0.690	2	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5]	N[5]	3:3:3:4:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	P[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br)	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH){1|Br<1>,4|H<1>,8|C<3>}	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2{1|Br<1>,9|C<3>}	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,8|C<3>}	103.5420	0.000	1	103.5420	0.000	1	103.6540	0.065	4	103.6540	0.065	4	100.3661	10.421	19	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5]	N[5]	3:3:3:4:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	P[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	Si[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]P[5]HH){1|Cl<1>,4|H<1>,8|C<3>}	C[5](P[5]C[6a]2Ge[5])(Si[5]C[6a]2N[5])(H)2{1|Cl<1>,9|C<3>}	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,8|C<3>}	103.6913	0.298	3	103.6913	0.089	3	103.6540	0.065	4	103.6540	0.065	4	100.3661	10.421	19	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5]	N[5]	3:4:4:4:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C-4:C-4:	P[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br)	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Br<1>,4|C<3>}	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Br<1>,5|C<3>}	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,4|C<3>}	103.2040	0.412	2	103.2040	0.169	2	103.0138	0.105	4	103.0138	0.105	4	100.3661	10.421	19	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5]	N[5]	3:4:4:4:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C-4:C-4:	P[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:C[6a]-3:Ge[5]-3:	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl)	Si[5](N[5]C[6a]Ge[5])(C[5]P[5]HH)(CCCH)2{1|Cl<1>,4|C<3>}	C[5](P[5]C[6a]2Ge[5])(Si[5]N[5]CC)(H)2{1|Cl<1>,5|C<3>}	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,4|C<3>}	102.8235	0.045	2	102.8235	0.002	2	103.0138	0.105	4	103.0138	0.105	4	100.3661	10.421	19	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5]	N[5]	3:4:4:4:	4:4:1:1:	4:4:4:	N[5]-3:C[5]-4:C-4:C-4:	P[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:Si[5]-4:Si-4:	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2	N[5](Si[5]P[5]CoH)(Si[5]C[5]CC)(SiC3)	Si[5](N[5]Si[5]Si)(C[5]P[5]HH)(CH3)2{1|Co<7>,1|H<1>,2|C<4>}	C[5](P[5]Si[5]CC)(Si[5]N[5]CC)(H)2{1|Co<7>,1|Si<4>,1|H<1>}	N[5](Si[5]P[5]CoH)(Si[5]C[5]CC)(SiC3){2|C<4>,2|H<1>}	105.3390	0.000	1	105.3390	0.000	1	105.3390	0.000	1	105.3390	0.000	1	100.3661	10.421	19	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5]	N[5]	4:3:1:1:	4:4:1:1:	4:4:3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:Si[5]-4:N-3:	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(H)2	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2	N[5](Si[5]C[5]HH)2(NCC)	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(H)2{4|H<1>}	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	N[5](Si[5]C[5]HH)2(NCC){4|H<1>}	98.1996	0.371	2	98.1996	0.137	2	98.1996	0.137	2	98.1996	0.137	2	100.3661	10.421	19	99.7193	25.069	26
562	474	542	5:SP3_SP2_SP3	Si[5]	C[5]	N[5]	4:3:4:4:	4:4:1:1:	4:4:2:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:Si[5]-4:N-2:	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	N[5](Si[5]C[5]CC)2(NFe)	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<2>,2|C<4>}	N[5](Si[5]C[5]CC)2(NFe){4|H<1>}	97.3183	1.016	8	97.3183	1.033	8	97.3183	1.033	8	97.3183	1.033	8	100.3661	10.421	19	99.7193	25.069	26
562	474	542	5:SP3_SP3_SP3	Si[5]	C[5]	N[5,5]	3:4:4:4:	4:4:1:1:	5:4:4:	N[5,5]-3:C[5]-4:C-4:C-4:	P[5,5]-4:Si[5]-4:H-1:H-1:	Nb[4x5]-5:Si[5]-4:Si[5]-4:	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	N[5,5](Nb[4x5]N[5,5]P[5,5]2N)(Si[5]C[5]CC)2	Si[5](N[5,5]Nb[4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,4|C<4>}	C[5](P[5,5]Nb[4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	N[5,5](Nb[4x5]N[5,5]P[5,5]2N)(Si[5]C[5]CC)2{2|Si<4>,2|C<3>,2|C<4>,4|H<1>}	108.0472	0.765	8	108.0472	0.585	8	108.0472	0.585	8	108.0472	0.585	8	108.0578	0.516	10	106.3330	16.649	12
562	474	542	5:SP3_SP3_SP3	Si[5]	C[5]	N[5,5]	3:4:4:4:	4:4:1:1:	6:4:4:	N[5,5]-3:C[5]-4:C-4:C-4:	P[5,5]-4:Si[5]-4:H-1:H-1:	Nb[3,4x5]-6:Si[5]-4:Si[5]-4:	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2	N[5,5](Nb[3,4x5]N[5,5]P[5,5]2C[3]2)(Si[5]C[5]CC)2	Si[5](N[5,5]Nb[3,4x5]Si[5])(C[5]P[5,5]HH)(CH3)2{1|N<3>,1|P<4>,3|C<3>,4|C<4>}	C[5](P[5,5]Nb[3,4x5]C[6a]C[5])(Si[5]N[5,5]CC)(H)2{2|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	N[5,5](Nb[3,4x5]N[5,5]P[5,5]2C[3]2)(Si[5]C[5]CC)2{2|Si<4>,2|C<4>,3|C<3>,5|H<1>}	108.1000	0.738	2	108.1000	0.545	2	108.1000	0.545	2	108.1000	0.545	2	108.0578	0.516	10	106.3330	16.649	12
562	474	542	5:SP3_SP3_SP3	Si[5]	C[5]	N[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:Si[5]-4:H-1:H-1:	Si[5]-4:Si[5]-4:N-3:	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	N[5](Si[5]C[5]CC)2(NFeH)	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<3>,2|C<4>}	N[5](Si[5]C[5]CC)2(NFeH){4|H<1>}	97.7092	0.068	2	97.7092	0.005	2	97.7092	0.005	2	97.7092	0.005	2	97.7092	0.005	2	106.3330	16.649	12