542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:1:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1: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)(C[5]C[5,6a]C)(CH3)	C(N[5]B[5]C[5])(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3){6|C<3>}	C(N[5]B[5]C[5])(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,4|C<4>,7|C<3>}	125.7825	0.493	2	125.7825	0.243	2	126.4073	1.293	3	126.0095	1.495	4	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:1:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1: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)(C[5]C[5,6a]H)(CH3)	C(N[5]B[5]C[5])(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	C(N[5]B[5]C[5])(H)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|C<4>,6|C<3>}	127.6570	0.000	1	127.6570	0.000	1	126.4073	1.293	3	126.0095	1.495	4	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:1:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3)	C(N[5]B[5]C[5])(H)3	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3){6|C<3>}	C(N[5]B[5]C[5])(H)3	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(N[5]C[5]C){1|C<4>,1|S<1>,4|F<1>,6|C<3>}	124.8160	0.000	1	124.8160	0.000	1	124.8160	0.000	1	126.0095	1.495	4	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:3:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1: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)(C[5]C[5,6a]H)(CCHH)	C(N[5]B[5]C[5])(CCH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	C(N[5]B[5]C[5])(CCH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|C<4>,6|C<3>}	127.5490	0.000	1	127.5490	0.000	1	127.5490	0.000	1	125.5902	2.183	5	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:3:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1: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)(C[5]C[5,6a]C)(CC[6a]HH)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CC[6a]HH){6|C<3>}	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,5|C<4>,6|C<3>}	123.6770	0.000	1	123.6770	0.000	1	125.1005	1.312	4	125.5902	2.183	5	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:3:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1: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)(C[5]C[5,6a]C[5])(CC[6a]HH)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,7|C<3>}	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,5|C<4>,6|C<3>}	125.3530	0.000	1	125.3530	0.000	1	125.1005	1.312	4	125.5902	2.183	5	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:3:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1: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)(C[5]C[5,6a]H)(CC[6a]HH)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CC[6a]HH){6|C<3>}	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|C<4>,6|C<3>}	125.6860	1.078	2	125.6860	1.161	2	125.1005	1.312	4	125.5902	2.183	5	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:4:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1: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)(C[5]C[5,6a]H)(CCHH)	C(N[5]B[5]C[5])(CC3)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	C(N[5]B[5]C[5])(CC3)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|C<4>,6|C<3>}	128.4810	0.000	1	128.4810	0.000	1	126.4175	8.516	2	126.4175	8.516	2	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:4:1:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1: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)(C[5]C[5,6a]H)(CCHH)	C(N[5]B[5]C[5])(CCHH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	C(N[5]B[5]C[5])(CCHH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|F<1>,6|C<3>}	124.3540	0.000	1	124.3540	0.000	1	126.4175	8.516	2	126.4175	8.516	2	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:4:4:1:	3:3:2:2:	B[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-2:O-2:	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH)	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH){2|C<3>}	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2{2|C<3>,2|H<1>}	126.0980	0.000	1	126.0980	0.000	1	126.0980	0.000	1	126.0980	0.000	1	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:4:4:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4: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)(C[5]C[5,6a]H)(CCCH)	C(N[5]B[5]C[5])(CH3)2(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH){6|C<3>}	C(N[5]B[5]C[5])(CH3)2(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|C<4>,6|C<3>}	126.6100	0.000	1	126.6100	0.000	1	126.6100	0.000	1	128.6295	8.157	2	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:4:4:1:	3:3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH)	C(N[5]B[5]C[5])(CH3)2(H)	B[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C)	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH){1|C<4>,1|O<1>,4|C<3>}	C(N[5]B[5]C[5])(CH3)2(H)	B[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	130.6490	0.000	1	130.6490	0.000	1	130.6490	0.000	1	128.6295	8.157	2	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:4:4:4:	3:3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:Cl-1:	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(CC3)	C(N[5]B[5]C[5])(CH3)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl)	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(CC3){4|C<3>}	C(N[5]B[5]C[5])(CH3)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl){4|C<3>,4|H<1>}	128.7480	0.000	1	128.7480	0.000	1	128.7480	0.000	1	128.7480	0.000	1	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:3:4:	3:4:4:4:	3:4:4:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-3:	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]H)(CC3)	C(N[5]B[5]C[5])(CH3)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]C)	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]H)(CC3){2|C<3>,2|H<1>,4|C<4>}	C(N[5]B[5]C[5])(CH3)3	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]C){10|H<1>,2|C<3>,4|C<4>}	132.1250	0.000	1	132.1250	0.000	1	132.1250	0.000	1	132.1250	0.000	1	126.6072	5.699	17	126.6072	5.699	17
542	490	786	0:SP2_SP3_SP3	N[5]	C	B[5]	4:4:3:	3:3:3:1:	3:3:2:2:	B[5]-4:C-4:C[5]-3:	C[5a]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-2:O-2:	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H)	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2{2|C<3>,2|H<1>}	123.2680	0.000	1	123.2680	0.000	1	123.2680	0.000	1	123.2680	0.000	1	126.6072	5.699	17	126.6072	5.699	17
542	490	818	0:SP2_SP2_SP3	N[5,6]	C	C[5,6]	4:3:4:	3:3:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O)	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	122.4855	1.020	2	122.4855	1.041	2	123.4360	3.231	3	123.4360	3.231	3	123.4360	3.231	3	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5,6]	C	C[5,6]	4:3:4:	3:3:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(O){2|C<4>,2|H<1>}	125.3370	0.000	1	125.3370	0.000	1	123.4360	3.231	3	123.4360	3.231	3	123.4360	3.231	3	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5]-3:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3){1|B<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|F<1>,6|C<3>}	128.9430	0.000	1	128.9430	0.000	1	128.9430	0.000	1	129.7250	3.248	3	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3)	C(N[5]C[5,5]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C)	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,5]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C){1|N<4>,2|C<3>,4|H<1>}	131.7860	0.000	1	131.7860	0.000	1	131.7860	0.000	1	129.7250	3.248	3	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,5](N[5,5]C[5,6a]N[5])(N[5]C[5,6a]C)(N[5]C[5]Cu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3){1|Cu<5>,1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,5](N[5,5]C[5,6a]N[5])(N[5]C[5,6a]C)(N[5]C[5]Cu){1|H<1>,2|C<3>}	128.4460	0.000	1	128.4460	0.000	1	128.4460	0.000	1	129.7250	3.248	3	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:1:1:1:	3:4:3:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:N[5]-3:	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C){6|H<1>}	127.5420	0.000	1	127.5420	0.000	1	127.5420	0.000	1	127.5420	0.000	1	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5,5]-3:N[5]-3:	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(N[5]C[5]C)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	125.2870	0.000	1	125.2870	0.000	1	125.2870	0.000	1	126.6580	0.897	5	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[5]-4:N[5,5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3){1|H<1>,6|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C){8|C<3>}	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	126.6580	0.897	5	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5,5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3){1|Fe<10>,1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|H<1>,2|C<4>,4|C<3>}	126.9583	0.780	3	126.9583	0.609	3	126.9583	0.609	3	126.6580	0.897	5	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5,5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,5]-3:N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(N[5]Se[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH){1|Se<2>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(N[5]Se[5]){1|N<2>,2|C<3>}	125.0110	0.000	1	125.0110	0.000	1	125.0110	0.000	1	125.0110	0.000	1	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5,5]-3:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH)	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	128.9280	0.132	2	128.9280	0.017	2	128.9280	0.017	2	129.3928	1.140	4	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,5]-3:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	129.8575	1.593	2	129.8575	2.538	2	129.8575	2.538	2	129.3928	1.140	4	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-3:Se[5]-2:N[5]-3:	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C)	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH){2|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C){1|N<3>,1|S<1>,1|S<2>}	122.3365	0.026	2	122.3365	0.001	2	122.3365	0.001	2	122.3365	0.001	2	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	S[5,5]-3:N[5]-3:N[5]-3:	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C[5,5](S[5,5]N[5]2)(N[5]C[5]C)2	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	C[5,5](S[5,5]N[5]2)(N[5]C[5]C)2{2|Se<1>,2|C<3>}	123.8090	1.798	4	123.8090	3.233	4	123.8090	3.233	4	123.8090	3.233	4	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:4:4:1:	3:2:3:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5,5]-3:S[5]-2:N[5]-3:	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5,5]C[5])(CH3)2(H)	C[5,5](N[5,5]B[5,5,6,6]C[5])(S[5]B[5,5,6,6])(N[5]C[5]C)	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH){1|H<1>,2|B<4>}	C(N[5]C[5,5]C[5])(CH3)2(H)	C[5,5](N[5,5]B[5,5,6,6]C[5])(S[5]B[5,5,6,6])(N[5]C[5]C){1|N<3>,1|S<2>,2|C<4>,2|H<1>}	125.5155	0.103	2	125.5155	0.011	2	125.5155	0.011	2	125.5155	0.011	2	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5,5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH)	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH){1|H<1>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C){2|C<3>,2|H<1>,2|N<3>}	123.2620	0.000	1	123.2620	0.000	1	123.2620	0.000	1	123.2620	0.000	1	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:4:4:4:	4:3:3:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	B[5]-4:N[5,5]-3:N[5]-3:	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){2|Br<1>,1|H<1>,2|C<4>}	C(N[5]C[5,5]C[5])(CH3)3	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	125.1623	0.543	3	125.1623	0.294	3	125.9223	2.506	4	125.9223	2.506	4	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:3:4:	3:4:4:4:	4:3:3:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	B[5]-4:N[5,5]-3:N[5]-3:	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|Cl<1>,1|H<1>,3|C<4>}	C(N[5]C[5,5]C[5])(CH3)3	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	128.2020	0.000	1	128.2020	0.000	1	125.9223	2.506	4	125.9223	2.506	4	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:4:4:	3:3:1:1:	3:3:2:	C[5,5]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,5]-3:N[5]-3:N[5]-2:	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]S[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]S[5]){1|S<1>,4|H<1>}	123.4920	0.000	2	123.4920	0.000	2	123.4920	0.000	2	123.6038	1.690	5	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:4:4:	3:3:1:1:	3:3:2:	C[5,5]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5,5]-3:N[5]-3:N[5]-2:	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]C[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])2(H)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]C[5]){8|H<1>}	123.6783	1.833	3	123.6783	3.359	3	123.6783	3.359	3	123.6038	1.690	5	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,5]	3:4:4:	3:3:1:1:	3:3:3:	C[5,5]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,5]-3:C[5]-3:N[5]-3:	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C){1|C<4>,2|O<2>,5|H<1>}	129.6255	1.740	2	129.6255	3.028	2	129.6255	3.028	2	129.6255	3.028	2	126.1103	7.343	34	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6,6]C[5,6a])(H)3	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,6,6]C[5,6a])(H)3	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	126.6600	0.000	1	126.6600	0.000	1	126.6600	0.000	1	126.6600	0.000	1	124.0747	2.561	7	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-3:P[3x6]-3:N[5]-3:	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C[5,6,6](C[5,6,6]P[3x6]S[5])(P[3x6]C[5,6,6]2)(N[5]C[5]C)	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>}	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C[5,6,6](C[5,6,6]P[3x6]S[5])(P[3x6]C[5,6,6]2)(N[5]C[5]C){1|C<4>,1|H<1>,1|S<1>,1|S<2>,2|C<3>}	123.6425	1.464	4	123.6425	2.145	4	123.6425	2.145	4	123.6438	1.514	6	124.0747	2.561	7	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	P[3x6]-3:C[5,6,6]-3:N[5]-3:	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C[5,6,6](P[3x6]C[5,6,6]C[6,6])(C[5,6,6]P[3x6]S[5])(N[5]C[5]C)	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|P<3>,2|C<3>}	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C[5,6,6](P[3x6]C[5,6,6]C[6,6])(C[5,6,6]P[3x6]S[5])(N[5]C[5]C){1|S<1>,1|S<2>,3|C<3>}	123.6465	1.066	2	123.6465	1.136	2	123.6465	1.136	2	123.6438	1.514	6	124.0747	2.561	7	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:2:4:	3:1:1:1:	3:3:2:	C[5,6]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	N[5](C[5,6]N[5,6]S[6])(N[5]N[5])(CH3)	C(N[5]C[5,6]N[5])(H)3	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]C)(S[6]C[6])	N[5](C[5,6]N[5,6]S[6])(N[5]N[5])(CH3){2|C<4>}	C(N[5]C[5,6]N[5])(H)3	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]C)(S[6]C[6]){1|C<4>,4|H<1>}	128.4930	0.000	1	128.4930	0.000	1	128.4930	0.000	1	128.4930	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:2:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	125.5215	0.011	2	125.5215	0.000	2	125.5215	0.000	2	125.5215	0.000	2	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:P[6]-2:N[5]-3:	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C)	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C){2|N<3>,4|H<1>}	124.2438	0.642	8	124.2438	0.412	8	124.2438	0.412	8	124.2438	0.412	8	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]C)(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3){2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]C)(C[6]C[6]){2|C<3>,2|H<1>}	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	126.0324	2.426	16	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pd<4>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	126.3470	0.000	1	126.6910	0.967	11	126.6910	0.967	11	126.0324	2.426	16	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,1|N<3>,1|O<2>,2|H<1>}	127.3820	0.998	4	126.6910	0.967	11	126.6910	0.967	11	126.0324	2.426	16	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<6>,2|H<1>,2|N<3>}	126.2877	0.857	6	126.6910	0.967	11	126.6910	0.967	11	126.0324	2.426	16	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(S[6]C[6])	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(S[6]C[6]){1|C<4>,6|H<1>}	124.7757	0.147	3	124.7757	0.022	3	125.2452	0.896	4	126.0324	2.426	16	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	N[5](C[5,6]N[5,6]S[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(S[6]C[6])	N[5](C[5,6]N[5,6]S[6])(C[5]N[5]H)(CH3){2|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(S[6]C[6]){1|C<4>,5|H<1>}	126.6540	0.000	1	126.6540	0.000	1	125.2452	0.896	4	126.0324	2.426	16	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3){1|Pt<4>,1|O<1>,2|N<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C){2|Pt<4>,1|C<3>,2|H<1>}	123.4620	0.000	1	123.4620	0.000	1	123.2765	0.069	2	125.9711	4.130	7	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3){1|C<2>,1|C<3>,1|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>}	123.0910	0.000	1	123.0910	0.000	1	123.2765	0.069	2	125.9711	4.130	7	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C)	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3){1|B<4>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(N[5]C[5]C){1|C<4>,1|H<1>,5|C<3>}	126.3400	0.000	1	126.3400	0.000	1	126.3400	0.000	1	125.9711	4.130	7	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){4|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	128.3450	0.000	1	128.3450	0.000	1	128.3450	0.000	1	125.9711	4.130	7	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3)	C(N[5]C[5,6]N[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6]N[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C){1|Rh<6>,1|C<4>,3|C<3>}	128.0320	0.000	1	128.0320	0.000	1	128.0320	0.000	1	125.9711	4.130	7	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	126.2640	0.000	2	126.2640	0.000	2	126.2640	0.000	2	125.9711	4.130	7	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:B[6]-4:N[5]-3:	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(B[6]N[5a,6]CC)(N[5]C[5]C)	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(B[6]N[5a,6]CC)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	126.5020	0.000	1	126.5020	0.000	1	126.5020	0.000	1	125.9170	0.261	3	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6,6]C[5])(C[6]O[6]HH)(N[5]C[5]C){2|C<3>,2|H<1>}	125.6920	0.000	1	125.6920	0.000	1	125.6920	0.000	1	125.9170	0.261	3	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	125.5570	0.000	1	125.5570	0.000	1	125.5570	0.000	1	125.9170	0.261	3	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]){1|C<4>,5|C<3>}	123.8170	0.000	1	123.8170	0.000	1	123.8170	0.000	1	123.8170	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3){1|N<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	123.8860	0.000	1	123.8860	0.000	1	123.8860	0.000	1	123.8860	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:3:1:1:	3:2:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:P[6]-2:N[5]-3:	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C)	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C){2|N<3>,4|H<1>}	125.3905	0.291	4	125.3905	0.085	4	125.3905	0.085	4	125.3905	0.085	4	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH){1|Cd<4>,2|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cd<4>,1|N<2>,1|N<3>,2|H<1>}	127.2200	1.638	4	126.2251	2.616	8	126.2251	2.616	8	126.2251	2.616	8	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH){1|Cd<6>,2|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cd<6>,1|N<2>,1|N<3>,2|H<1>}	125.2302	0.883	4	126.2251	2.616	8	126.2251	2.616	8	126.2251	2.616	8	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5,6]-3:N[5]-3:N[6]-3:	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H)	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6]C[5])(CNO)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(CNO)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	125.8610	0.000	1	125.8610	0.000	1	125.8610	0.000	1	125.8610	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	B[6]-4:N[5,6]-3:N[5]-3:	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C)	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C){4|C<3>,4|H<1>}	125.1470	0.000	1	125.1470	0.000	1	125.1470	0.000	1	124.4960	0.848	2	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	123.8450	0.000	1	123.8450	0.000	1	123.8450	0.000	1	124.4960	0.848	2	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-2:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,1|N<3>}	123.6947	0.318	4	124.2368	0.422	8	124.1288	0.475	9	124.0087	0.478	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-2:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,1|N<3>}	124.7788	0.318	4	124.2368	0.422	8	124.1288	0.475	9	124.0087	0.478	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-2:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|P<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6])(N[5]C[5]C){1|C<3>,1|S<1>,1|S<2>}	123.2650	0.000	1	123.2650	0.000	1	124.1288	0.475	9	124.0087	0.478	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:Se[6]-2:N[5]-3:	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]S[5])(Se[6]Se[6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH){1|Se<2>,1|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]S[5])(Se[6]Se[6])(N[5]C[5]C){1|C<3>,1|S<1>,1|S<2>}	123.4685	0.515	2	123.4685	0.266	2	123.4685	0.266	2	124.0087	0.478	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){3|C<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	124.5280	0.000	1	124.5280	0.000	1	124.5280	0.000	1	125.4785	2.682	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	125.3150	0.000	1	126.2968	1.344	4	126.4793	1.383	6	125.4785	2.682	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,2|H<1>,2|N<3>}	125.2780	0.000	1	126.2968	1.344	4	126.4793	1.383	6	125.4785	2.682	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Ru<9>,1|H<1>,1|O<1>,2|N<2>}	127.2970	0.167	2	126.2968	1.344	4	126.4793	1.383	6	125.4785	2.682	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Cu<4>,2|C<3>}	C(N[5]C[5,6]C[5])(CHHN)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cu<4>,2|H<1>,2|N<3>}	126.8445	1.576	2	126.8445	2.484	2	126.4793	1.383	6	125.4785	2.682	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](N[5,6]C[5,6a]C[6,6a])(N[5]C[5,6a]C)(N[6]S[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](N[5,6]C[5,6a]C[6,6a])(N[5]C[5,6a]C)(N[6]S[6]){2|O<1>,4|C<3>}	125.1300	0.000	1	125.1300	0.000	1	124.2150	2.202	4	125.4785	2.682	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	125.4670	0.000	1	125.4670	0.000	1	124.2150	2.202	4	125.4785	2.682	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6](N[5,6]C[5,6a]S[6])(N[5]C[5,6a]C)(N[6]C[6,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	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>}	123.1315	1.361	2	123.1315	1.853	2	124.2150	2.202	4	125.4785	2.682	11	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.7090	0.000	1	125.7090	0.000	1	125.7090	0.000	1	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Al)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Al<4>,1|C<3>,1|C<4>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Al)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	125.9638	0.746	4	125.9638	0.557	4	125.0878	1.515	25	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]S)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]S)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|S<1>,1|S<2>}	125.8180	0.475	4	125.8180	0.226	4	125.0878	1.515	25	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Se)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Se<2>,1|C<3>,1|C<4>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Se)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,1|S<1>}	125.9832	0.340	4	125.9832	0.116	4	125.0878	1.515	25	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|N<3>}	125.7650	0.911	4	125.7650	0.831	4	125.0878	1.515	25	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]Cl)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|Cl<1>,1|C<3>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]Cl)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,1|S<2>}	123.6770	0.000	1	123.6770	0.000	1	125.0878	1.515	25	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|N<3>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]N)(N[5]C[5]C){1|C<3>,1|P<3>,1|S<1>,1|S<2>}	124.0000	0.488	4	124.0000	0.238	4	125.0878	1.515	25	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]P)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,2|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]P)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>}	122.8945	0.421	2	122.8945	0.177	2	125.0878	1.515	25	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]P[6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,2|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]P[6])(N[5]C[5]C){1|N<3>,1|S<1>,1|S<2>,3|C<3>}	123.8045	0.637	2	123.8045	0.406	2	125.0878	1.515	25	125.1117	1.469	26	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	126.3890	0.000	1	126.3890	0.000	1	126.3065	0.014	2	127.4205	2.677	8	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6]C[5])(CSeHH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(CSeHH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	126.2240	0.000	1	126.2240	0.000	1	126.3065	0.014	2	127.4205	2.677	8	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:P[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	127.6390	0.296	2	127.6390	0.087	2	127.6390	0.087	2	127.4205	2.677	8	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6]-3:N[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH)	C(N[5]C[5,6]N[5])(CHHP)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C)	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH){2|H<1>,3|C<4>}	C(N[5]C[5,6]N[5])(CHHP)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C){1|Pt<4>,2|C<4>,4|H<1>}	127.8683	2.255	4	127.8683	5.087	4	127.8683	5.087	4	127.4205	2.677	8	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	126.9865	0.947	2	126.9865	0.896	2	126.9865	0.896	2	126.9865	0.896	2	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:1:1:	5:3:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	In[6,6]-5:N[5,6]-3:N[5]-3:	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C[5,6](In[6,6]C[5,6]3Br)(N[5,6]B[6]C[5])(N[5]C[5]C)	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH){1|Br<1>,1|B<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C[5,6](In[6,6]C[5,6]3Br)(N[5,6]B[6]C[5])(N[5]C[5]C){2|C<4>,2|H<1>,6|N<3>}	126.2290	3.276	4	126.2290	10.734	4	126.2290	10.734	4	126.2290	10.734	4	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:4:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5,6]-3:C[6]-4:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH)	C(N[5]C[5,6]C[5])(CH3)2(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)2(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C){2|C<4>,3|C<3>,3|H<1>}	126.9990	2.263	2	126.9990	5.120	2	126.9990	5.120	2	126.9990	5.120	2	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5,6]-3:N[5]-3:Ge[6]-2:	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(Ge[6]N[6])	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,6]C[5])(CH3)3	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(Ge[6]N[6]){2|C<4>,4|H<1>}	124.9260	0.000	1	124.9260	0.000	1	124.9260	0.000	1	124.9260	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5,6]-3:Ge[6]-4:N[5]-3:	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C[5,6](N[5,6]B[6]C[5])(Ge[6]C[5,6]CH)(N[5]C[5]C)	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CH3)3	C[5,6](N[5,6]B[6]C[5])(Ge[6]C[5,6]CH)(N[5]C[5]C){2|C<3>,2|H<1>,2|N<3>}	131.5710	1.652	2	131.5710	2.728	2	131.5710	2.728	2	131.5710	2.728	2	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:2:	3:3:1:1:	3:3:2:	C[5,6]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5])	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]N[5]C)(S[6]C[6])	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5]){1|H<1>,2|C<4>}	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]N[5]C)(S[6]C[6]){1|C<4>,5|H<1>}	127.4800	0.000	1	127.4800	0.000	1	127.4800	0.000	1	127.4800	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[5]C)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	124.4880	0.000	1	124.4880	0.000	1	124.4880	0.000	1	124.4880	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	126.3810	0.000	1	126.3810	0.000	1	126.3810	0.000	1	126.8480	16.570	3	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	126.8480	16.570	3	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5]-3:	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C)	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,7|H<1>}	131.1320	0.000	1	131.1320	0.000	1	131.1320	0.000	1	126.8480	16.570	3	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	126.4120	0.000	1	126.4120	0.000	1	124.4965	8.912	6	124.4965	8.912	6	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<3>,6|H<1>}	128.7020	0.000	1	125.2065	24.437	2	124.4965	8.912	6	124.4965	8.912	6	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	121.7110	0.000	1	125.2065	24.437	2	124.4965	8.912	6	124.4965	8.912	6	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	124.1410	0.000	1	123.3847	5.870	3	124.4965	8.912	6	124.4965	8.912	6	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	125.3390	0.000	1	123.3847	5.870	3	124.4965	8.912	6	124.4965	8.912	6	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	120.6740	0.000	1	123.3847	5.870	3	124.4965	8.912	6	124.4965	8.912	6	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	126.6080	0.000	1	126.6080	0.000	1	126.6080	0.000	1	126.6080	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:4:4:1:	3:2:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5,6]-3:O[6]-2:N[5]-3:	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH)	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C)	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH){1|C<4>,1|H<1>,2|B<4>}	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C[5,6](N[5,6]B[6]C[5])(O[6]B[5,5,6])(N[5]C[5]C){1|C<4>,1|O<2>,2|N<4>,5|H<1>}	125.2920	0.000	1	125.2920	0.000	1	125.2920	0.000	1	125.2920	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:4:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C(N[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|W<7>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(CH3)2(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C){1|C<4>,7|H<1>}	125.7040	0.000	1	125.7040	0.000	1	125.7040	0.000	1	125.7040	0.000	1	125.5968	3.670	136	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(C[5]N[5])(H)	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|C<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(C[5]N[5])(H){1|C<2>}	129.3000	0.000	1	129.3000	0.000	1	129.3000	0.000	1	125.6606	4.708	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]S[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(S[5]C[5])(H)	N[5](C[5]S[5]H)(N[5]C[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(S[5]C[5])(H){1|N<3>}	125.4110	0.651	2	125.4110	0.423	2	125.4110	0.423	2	125.6606	4.708	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]S[5]S)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(S[5]C[5])(S)	N[5](C[5]S[5]S)(N[5]C[5])(CH3){1|S<2>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(S[5]C[5])(S){1|S<2>}	124.0905	0.332	2	124.0905	0.110	2	124.0905	0.110	2	125.6606	4.708	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5])(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5])(NHH){1|C<4>}	128.8020	0.000	1	128.8020	0.000	1	128.8020	0.000	1	128.8020	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:2:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	128.6400	0.000	1	128.6400	0.000	1	128.6400	0.000	1	128.6400	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|Mo<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<7>}	127.1300	0.000	1	127.1300	0.000	1	127.1300	0.000	1	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|S<2>}	127.6220	0.000	1	127.6220	0.000	1	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<8>,1|C<3>,1|N<3>}	128.7430	0.000	1	128.7430	0.000	1	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	127.9550	0.522	3	128.0967	0.262	4	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Re<6>,2|C<3>}	128.5220	0.000	1	128.0967	0.262	4	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<2>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<3>}	127.9670	0.000	1	128.7005	0.757	13	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	128.0512	0.042	4	128.7005	0.757	13	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	129.5015	0.597	6	128.7005	0.757	13	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){2|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	127.9630	0.369	2	128.7005	0.757	13	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<3>}	126.4320	0.000	1	127.5452	0.262	8	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	128.0540	0.000	2	127.5452	0.262	8	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|N<3>}	127.5644	0.136	5	127.5452	0.262	8	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]O[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]O[5]N)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]O[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]O[5]N)(N[5]N[5]C)(H)	127.0105	0.400	4	127.0105	0.160	4	128.0730	0.823	31	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<4>}	126.2150	0.000	1	126.2150	0.000	1	125.7375	0.456	2	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|N<2>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|N<3>}	125.2600	0.000	1	125.2600	0.000	1	125.7375	0.456	2	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	128.9490	0.000	1	128.9490	0.000	1	129.1714	1.171	32	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){2|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]H)(N[5]N[5]C)(H){1|H<1>}	128.6340	0.000	1	128.6340	0.000	1	129.1714	1.171	32	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]N)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]N)(N[5]N[5]C)(H){1|H<1>}	127.6832	0.479	5	127.6832	0.230	5	129.1714	1.171	32	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]N[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	127.2100	0.000	1	127.2100	0.000	1	129.1714	1.171	32	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ru)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|Ru<6>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]Ru)(N[5]N[5]C)(H){1|H<1>}	128.2097	0.681	3	128.2097	0.463	3	129.1714	1.171	32	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	127.8680	0.000	1	127.8680	0.000	1	129.1714	1.171	32	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]N[5])(CH3){1|Fe<6>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Fe)(N[5]N[5]C)(H)	129.8658	0.485	19	129.8658	0.235	19	129.1714	1.171	32	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]N[5])(CH3){1|Zn<6>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Zn)(N[5]N[5]C)(H)	130.3290	0.000	1	130.3290	0.000	1	129.1714	1.171	32	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	126.7660	0.000	1	126.7660	0.000	1	126.5977	0.027	3	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|H<1>}	126.5135	0.110	2	126.5135	0.012	2	126.5977	0.027	3	128.4369	1.608	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-2:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC){1|C<3>}	129.5600	0.000	1	129.5600	0.000	1	129.5600	0.000	1	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C[5]-2:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(N[5]N[5]C)(C[5]N[5])	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<2>,1|C<3>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(N[5]N[5]C)(C[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	131.4570	0.735	2	131.4570	0.541	2	131.4570	0.541	2	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(NC)	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(NC){1|C<3>}	126.0190	0.000	1	126.0190	0.000	1	126.0190	0.000	1	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]O)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ru)(N[5]N[5]C)(OC)	N[5](C[5]C[5]O)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ru)(N[5]N[5]C)(OC){1|C<3>}	127.4025	1.307	2	127.4025	1.709	2	127.4025	1.709	2	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3){1|Re<6>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	131.7250	0.000	1	131.7250	0.000	1	131.7250	0.000	1	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:P[5]-2:	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5])	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3){3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5]){2|H<1>,3|C<3>}	127.8300	0.000	1	127.8300	0.000	1	127.8300	0.000	1	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5]N)(NH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5]N)(NH)	128.1930	0.000	1	128.1930	0.000	1	128.1930	0.000	1	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3)	C(N[5]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3){1|N<3>,2|C<3>}	C(N[5]C[5]O[5])(H)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>}	138.3060	0.557	2	138.3060	0.310	2	138.3060	0.310	2	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:2:	C[5]-3:S[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]O)(S[5]C[5])(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5]C[5]H)(N[5]S[5]C)(OH)	N[5](C[5]C[5]O)(S[5]C[5])(CH3){2|H<1>}	C(N[5]C[5]S[5])(H)3	C[5](C[5]C[5]H)(N[5]S[5]C)(OH){1|H<1>}	124.1910	0.000	1	124.1910	0.000	1	124.1910	0.000	1	130.1541	19.885	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Cu)(N[5]N[5]C){1|Cu<2>,1|N<2>,1|N<3>,2|C<4>}	129.9925	0.202	2	129.9925	0.041	2	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|C<4>}	127.3080	0.000	1	128.5490	3.080	2	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	129.7900	0.000	1	128.5490	3.080	2	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	129.7180	0.000	1	130.6527	0.370	7	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|N<2>,1|N<3>,2|C<4>}	130.5765	0.338	4	130.6527	0.370	7	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	131.2725	0.460	2	130.6527	0.370	7	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C){1|Mn<5>,1|N<2>,1|N<3>,2|C<4>}	129.7107	0.338	3	129.7740	0.092	4	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C){1|Mn<5>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	129.9640	0.000	1	129.7740	0.092	4	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Rh)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Rh)(N[5]N[5]C){1|Rh<6>,1|N<2>,1|N<3>,2|C<4>}	128.2515	0.197	2	128.2515	0.039	2	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N[5])(C[5]N[5]Ru)(N[5]N[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	131.6125	1.018	2	131.6125	1.035	2	130.0251	1.411	19	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	129.6090	0.000	1	129.6090	0.000	1	129.0292	1.213	4	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ir)(C[6]C[6]2)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<2>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ir)(C[6]C[6]2)(N[5]N[5]C){1|C<4>,2|C<3>}	128.8360	1.263	3	128.8360	1.596	3	129.0292	1.213	4	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]C){1|C<4>}	128.8332	0.623	4	128.8332	0.388	4	128.1354	2.143	12	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]2)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]2){1|C<3>}	129.5930	0.000	1	129.5930	0.000	1	128.1354	2.143	12	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<3>}	126.1333	0.118	3	126.4075	0.310	4	128.1354	2.143	12	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<4>}	127.2300	0.000	1	126.4075	0.310	4	128.1354	2.143	12	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N){1|C<3>}	127.8110	0.000	1	127.8110	0.000	1	128.1354	2.143	12	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ru)(N[5]N[5]C)(CNO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ru)(N[5]N[5]C)(CNO){1|C<3>}	128.9580	0.000	1	128.9580	0.000	1	128.1354	2.143	12	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ru)(N[5]N[5]C)(COO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ru)(N[5]N[5]C)(COO){1|C<3>}	130.3000	0.000	1	130.3000	0.000	1	128.1354	2.143	12	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(NCH)	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(NCH){1|C<3>}	129.5500	0.000	1	129.5500	0.000	1	129.5500	0.000	1	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	130.3170	0.000	1	131.2043	5.826	7	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){2|C<3>,2|C<4>}	134.6885	0.128	2	131.2043	5.826	7	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	129.3055	0.224	2	131.2043	5.826	7	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|H<1>,3|C<3>}	130.0625	0.053	2	131.2043	5.826	7	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	129.3940	0.000	1	129.3940	0.000	1	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	129.1810	0.539	2	130.1935	0.805	6	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|H<1>,3|C<3>}	130.3705	0.466	2	130.1935	0.805	6	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|Pd<4>,1|H<1>,3|C<3>}	131.0290	0.093	2	130.1935	0.805	6	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Re)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Re<6>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Re)(N[5]N[5]C){1|H<1>,3|C<3>}	130.6870	0.000	1	130.6870	0.000	1	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	130.5290	0.000	1	130.4052	0.125	5	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	130.1767	0.081	3	130.4052	0.125	5	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|H<1>,3|C<3>}	130.9670	0.000	1	130.4052	0.125	5	130.5849	2.351	20	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6]N[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]C){1|H<1>,2|C<3>}	132.1670	0.000	1	132.1670	0.000	1	132.1670	0.000	1	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.3185	0.398	2	129.3185	0.158	2	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|C<3>,3|C<4>}	128.3680	0.000	1	129.1080	0.735	5	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|C<4>,3|C<3>}	128.1210	0.000	1	129.1080	0.735	5	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Cu)(N[5]N[5]C){2|H<1>,3|C<3>}	129.6837	0.459	3	129.1080	0.735	5	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.9704	0.876	9	129.6527	1.250	12	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	127.3620	0.000	1	129.6527	1.250	12	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<3>}	129.3685	1.135	2	129.6527	1.250	12	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.0362	1.278	8	128.9520	1.313	10	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|I<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){2|H<1>,3|C<3>}	128.6150	0.310	2	128.9520	1.313	10	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.2870	0.000	1	128.7315	0.174	4	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	128.2790	0.000	1	128.7315	0.174	4	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	128.6800	0.065	2	128.7315	0.174	4	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Mo<5>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	132.4160	0.000	1	132.4160	0.000	1	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.8550	0.000	1	129.0499	0.926	7	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|C<4>,3|C<3>}	128.3010	0.000	1	129.0499	0.926	7	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|H<1>,3|C<3>}	129.9160	0.355	2	129.0499	0.926	7	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	128.9190	0.597	2	129.0499	0.926	7	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ni)(N[5]N[5]C){2|H<1>,3|C<3>}	127.5230	0.000	1	129.0499	0.926	7	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Os)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Os<9>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Os)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	127.3070	0.000	1	127.3070	0.000	1	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<2>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<2>,2|C<3>,2|H<1>}	129.9875	1.235	2	129.8419	1.695	29	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	130.2755	1.019	19	129.8419	1.695	29	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){2|C<3>,3|C<4>}	128.0960	0.000	1	129.8419	1.695	29	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){2|H<1>,3|C<3>}	128.8729	1.527	7	129.8419	1.695	29	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.2710	0.000	1	129.2710	0.000	1	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<6>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C){2|H<1>,3|C<3>}	129.7810	0.492	2	129.6583	0.166	3	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<8>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]N[5]C){2|H<1>,3|C<3>}	129.4130	0.000	1	129.6583	0.166	3	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<5>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	128.5130	0.000	1	129.3316	0.515	18	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<5>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.8380	0.000	1	129.3316	0.515	18	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<6>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){2|H<1>,3|C<3>}	129.3530	0.000	1	129.3316	0.515	18	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	129.8077	0.811	3	129.3316	0.515	18	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.3473	0.770	6	129.3316	0.515	18	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|H<1>,3|C<3>}	129.6050	0.000	1	129.3316	0.515	18	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){2|H<1>,3|C<3>}	129.0304	0.766	5	129.3316	0.515	18	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	128.7010	0.000	1	129.3247	0.719	3	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<2>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	129.6365	0.924	2	129.3247	0.719	3	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.0220	0.000	1	129.5268	0.209	5	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	130.2350	0.000	1	129.5268	0.209	5	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.3640	0.000	1	129.5268	0.209	5	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	129.5065	0.231	2	129.5268	0.209	5	129.4531	1.187	101	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C)	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3){1|Re<6>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C){2|C<3>,2|H<1>}	129.7137	0.978	3	129.7137	0.957	3	129.7137	0.957	3	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ru)(N[5]N[5]C)(CCC)	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|Ru<8>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Ru)(N[5]N[5]C)(CCC)	130.5790	0.000	1	130.5790	0.000	1	130.5790	0.000	1	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5]H)(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5]H)(NHH)	129.0570	0.000	1	129.0570	0.000	1	128.5831	0.290	8	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5]N)(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5]N)(NHH)	128.5860	0.567	5	128.5860	0.322	5	128.5831	0.290	8	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)2(NHH)	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)2(NHH)	128.3390	0.632	2	128.3390	0.400	2	128.5831	0.290	8	129.5340	1.699	170	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	123.5050	0.000	1	123.5050	0.000	1	123.5050	0.000	1	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<3>}	127.5630	0.000	1	127.6645	0.346	4	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<4>}	127.6983	0.716	3	127.6645	0.346	4	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH){1|C<4>}	128.2125	0.194	2	128.2125	0.038	2	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	128.2410	0.000	1	128.2410	0.000	1	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<4>}	128.5820	0.000	1	128.5820	0.000	1	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO){1|C<4>}	128.0156	0.410	5	128.0156	0.168	5	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH){1|C<3>}	128.7350	0.362	2	128.7350	0.131	2	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CCHH){1|C<4>}	128.7165	0.448	4	128.7165	0.201	4	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CC[5]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CC[5]HH){1|C<4>}	128.7970	0.686	2	128.7970	0.470	2	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CHHO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ir)(N[5]N[5]C)(CHHO){1|C<4>}	128.9572	1.039	4	128.9572	1.080	4	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ni<4>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CCHH){1|C<3>}	128.7160	0.138	3	128.7160	0.019	3	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CHHO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ni<7>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Ni)(N[5]N[5]C)(CHHO){1|C<3>}	128.8460	0.000	1	128.8460	0.000	1	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH){1|C<3>}	128.9733	0.446	4	129.9148	3.193	6	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CCHH){1|C<4>}	131.7980	2.175	2	129.9148	3.193	6	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	128.4040	0.379	2	128.4040	0.144	2	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO){1|C<3>}	128.0683	0.108	3	128.2150	0.094	4	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<5>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHO){1|C<3>}	128.6550	0.000	1	128.2150	0.094	4	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHP)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CHHP){1|C<4>}	127.4080	0.000	1	127.4080	0.000	1	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<5>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CN[5]HH){1|C<3>}	128.9020	0.000	1	128.9020	0.000	1	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CCHH){1|C<3>}	128.3815	0.874	4	128.3836	0.573	5	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<8>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CCHH){1|C<3>}	128.3920	0.000	1	128.3836	0.573	5	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CHHO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<8>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CHHO){1|C<3>}	128.6665	0.145	2	128.6665	0.021	2	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<7>,1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CN[5]HH){1|C<3>}	128.8860	0.000	1	128.8860	0.000	1	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]Se[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]Se[5])(CH3){1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	123.7260	0.622	3	123.7260	0.387	3	128.3244	2.116	54	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]N[5]B)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3)	N[5](C[5]N[5]B)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3){1|H<1>}	128.3260	0.000	1	128.3260	0.000	1	128.3260	0.000	1	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5]C)(CH3)	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|B<6>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]B[5x3,4,9x5,6,6]N[5])(N[5]N[5]C)(CH3){1|B<5>,4|B<6>}	129.4340	0.000	1	129.4340	0.000	1	129.8496	1.497	5	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5]N)(CH3)	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]N[5]N)(CH3)	128.7635	0.012	2	128.7635	0.000	2	129.8496	1.497	5	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(N[5]N[5]C)(CHHN)	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|Cu<4>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Cu)(N[5]N[5]C)(CHHN)	131.1435	0.326	2	131.1435	0.106	2	129.8496	1.497	5	128.3705	2.548	61	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5]C)(O)	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3){1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5]C)(O){1|C<4>,4|C<3>}	126.4935	0.214	2	126.4935	0.046	2	126.4935	0.046	2	125.9335	1.595	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5]C)(O){1|C<4>}	126.9200	0.000	2	126.9200	0.000	2	125.6535	2.330	4	125.9335	1.595	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5]C)(O){1|C<4>}	124.3870	0.757	2	124.3870	0.572	2	125.6535	2.330	4	125.9335	1.595	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]C)(C[5]C[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]N[5]C)(C[5]C[5])(CH3){1|Cu<4>}	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	129.1880	0.000	1	129.1880	0.000	1	129.1880	0.000	1	129.2836	1.220	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	128.6605	0.373	2	128.5647	0.097	3	128.8016	0.352	8	129.2836	1.220	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|H<1>,3|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<4>}	128.3730	0.000	1	128.5647	0.097	3	128.8016	0.352	8	129.2836	1.220	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,1|C<3>,2|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]Pd)(N[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	129.4750	0.000	1	128.9438	0.501	5	128.8016	0.352	8	129.2836	1.220	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,3|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]Pd)(N[5]N[5]C){1|H<1>,4|C<4>}	128.7220	0.882	3	128.9438	0.501	5	128.8016	0.352	8	129.2836	1.220	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,3|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]N[5]Pd)(N[5]N[5]C){2|H<1>,3|C<4>}	129.0780	0.000	1	128.9438	0.501	5	128.8016	0.352	8	129.2836	1.220	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:1:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|O<2>,3|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C){3|C<4>,4|H<1>}	131.2595	0.230	2	131.2595	0.053	2	131.2595	0.053	2	129.2836	1.220	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(CC)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(H){1|H<1>}	129.2270	1.116	2	129.2270	1.245	2	129.2270	1.245	2	128.7408	1.610	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C(N[5]C[5]N[5])(SC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(SC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	128.6490	0.663	3	128.7471	2.155	7	128.7471	2.155	7	128.7408	1.610	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C(N[5]C[5]N[5])(SC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pt<4>,1|C<4>}	C(N[5]C[5]N[5])(SC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pt<4>}	130.2455	0.832	2	128.7471	2.155	7	128.7471	2.155	7	128.7408	1.610	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C(N[5]C[5]N[5])(SC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Ru<9>,1|C<4>}	C(N[5]C[5]N[5])(SC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	127.3960	1.785	2	128.7471	2.155	7	128.7471	2.155	7	128.7408	1.610	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:2:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:Se-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH)	C(N[5]C[5]N[5])(SeC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH){1|Ru<9>,1|C<4>}	C(N[5]C[5]N[5])(SeC[6a])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	128.2325	0.971	2	128.2325	0.943	2	128.2325	0.943	2	128.7408	1.610	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:O[5]-2:S-1:	N[5](C[5]O[5]S)(N[5]C[5])(CHHN)	C(N[5]C[5]N[5])(NC[6a]H)(H)2	C[5](N[5]N[5]C)(O[5]C[5])(S)	N[5](C[5]O[5]S)(N[5]C[5])(CHHN){1|C<4>}	C(N[5]C[5]N[5])(NC[6a]H)(H)2	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<4>}	126.5840	0.392	2	126.5840	0.153	2	126.5840	0.153	2	127.2423	0.463	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	N[5]-3:O[5]-2:S-1:	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]N[5]C)(O[5]C[5])(S)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<3>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<3>}	126.9040	0.000	1	127.5715	0.287	4	127.5715	0.287	4	127.2423	0.463	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:2:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	N[5]-3:O[5]-2:S-1:	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]N[5]C)(O[5]C[5])(S)	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<4>}	127.7940	0.366	3	127.5715	0.287	4	127.5715	0.287	4	127.2423	0.463	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	124.4850	0.733	2	124.4850	0.537	2	124.4850	0.537	2	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Pd<4>,1|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	128.6700	0.000	1	128.6700	0.000	1	128.6700	0.000	1	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	128.0740	0.000	1	128.0740	0.000	1	127.2620	1.319	2	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|H<1>}	126.4500	0.000	1	126.4500	0.000	1	127.2620	1.319	2	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCH)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(CCH)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(H){1|H<1>}	128.8350	0.000	1	128.8350	0.000	1	130.5632	1.019	5	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	C[5](N[5]N[5]Fe)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	C(N[5]C[5]N[5])(COO)(H)2	C[5](N[5]N[5]Fe)(N[5]N[5]C)(H)	130.9952	0.339	4	130.9952	0.115	4	130.5632	1.019	5	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	129.1297	0.374	3	129.1297	0.140	3	128.8525	0.400	4	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Zn<4>,1|C<4>}	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<4>}	128.0210	0.000	1	128.0210	0.000	1	128.8525	0.400	4	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CHHN)	C(N[5]C[5]N[5])(NC[6a]2)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CHHN){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(NC[6a]2)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	125.7080	0.038	2	125.7080	0.001	2	125.7080	0.001	2	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	127.4300	0.436	2	127.4300	0.190	2	127.4300	0.190	2	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	128.1070	0.000	1	127.1505	0.420	6	126.5923	1.023	19	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){2|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<4>}	126.9592	0.500	5	127.1505	0.420	6	126.5923	1.023	19	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|N<2>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	126.1250	0.034	2	126.4710	1.539	9	126.5923	1.023	19	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	126.5699	1.414	7	126.4710	1.539	9	126.5923	1.023	19	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:N[6]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S){1|C<4>,2|C<3>}	126.0277	0.492	4	126.0277	0.242	4	126.5923	1.023	19	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH)	C(N[5]Se[5]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]Se[5]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:1:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	121.8253	1.097	9	121.8253	1.204	9	121.8253	1.204	9	126.1819	7.991	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]N[5]N)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(NN)	N[5](C[5]N[5]N)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	C(N[5]C[5]N[5])(COO)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(NN){1|N<2>}	125.1530	0.000	1	125.1530	0.000	1	126.2445	2.383	2	126.2445	2.383	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	C(N[5]C[5]N[5])(COO)(H)2	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	127.3360	0.000	1	127.3360	0.000	1	126.2445	2.383	2	126.2445	2.383	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:3:4:1:	3:3:1:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	122.7437	0.815	3	122.7437	0.664	3	122.7437	0.664	3	122.7437	0.664	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-2:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(C[5]N[5])(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(C[5]N[5])(H)	130.5470	0.000	1	130.5470	0.000	1	130.5470	0.000	1	130.5470	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:2:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-2:	N[5](C[5]S[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]N[5]C)(S[5]C[5])(SC)	N[5](C[5]S[5]S)(N[5]C[5])(CCHH){1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]N[5]C)(S[5]C[5])(SC){1|H<1>}	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:2:4:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]N[5]C)(N[5]N[5])(CCHH)	N[5](C[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	128.1450	0.000	1	128.1450	0.000	1	128.1450	0.000	1	128.1450	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	123.2340	0.000	1	123.2340	0.000	1	124.1646	1.612	7	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>}	126.2260	0.000	1	126.2260	0.000	1	124.1646	1.612	7	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Rh<6>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H){1|C<4>}	125.7270	0.000	1	125.7270	0.000	1	124.1646	1.612	7	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	123.4815	0.070	2	123.4815	0.005	2	124.1646	1.612	7	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	123.1140	0.000	1	123.1140	0.000	1	124.1646	1.612	7	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	123.8880	0.000	1	123.8880	0.000	1	124.1646	1.612	7	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(C[5]C[5])(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]N[5]H)(C[5]C[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H){1|H<1>}	124.2510	0.000	1	124.2510	0.000	1	124.2510	0.000	1	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:B-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CBHH)	C(N[5]C[5]N[5])(BF3)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CBHH){1|Ir<6>,1|C<3>}	C(N[5]C[5]N[5])(BF3)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	127.8375	0.687	2	127.8375	0.471	2	127.8375	0.471	2	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	128.4988	1.066	5	128.1486	1.930	8	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	128.1330	2.324	2	128.1486	1.930	8	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pt<4>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	126.4290	0.000	1	128.1486	1.930	8	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Os<9>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Os<9>,2|C<3>}	127.1170	0.830	2	127.3017	0.377	6	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	127.1910	0.000	1	127.3017	0.377	6	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Re<6>,2|C<3>}	127.9430	0.000	1	127.3017	0.377	6	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	127.2210	0.832	2	127.3017	0.377	6	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	128.5860	0.000	1	128.0590	0.607	5	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Zn<4>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<4>}	127.5500	0.327	2	128.0590	0.607	5	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	128.3045	1.186	2	128.0590	0.607	5	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	128.1924	1.681	10	128.1924	2.825	10	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CC[5]CH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	127.2725	3.713	2	127.2725	13.787	2	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	128.1770	0.296	2	128.1770	0.087	2	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<3>}	128.7620	0.000	1	128.8380	1.276	5	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	128.8570	1.304	4	128.8380	1.276	5	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	129.4210	0.000	1	129.4210	0.000	1	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	128.5020	0.000	1	128.5020	0.000	1	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	125.7480	1.004	2	125.7480	1.008	2	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Cu<5>,1|C<3>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	129.5490	0.000	1	129.5490	0.000	1	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	129.6590	2.172	4	129.6264	3.544	5	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	129.4960	0.000	1	129.6264	3.544	5	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	121.1440	0.000	1	121.1440	0.000	1	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	127.8870	1.179	2	127.8870	1.391	2	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	127.3135	2.623	2	127.1520	3.517	3	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Zn<4>,1|C<4>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<4>}	126.8290	0.000	1	127.1520	3.517	3	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[6]HH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[6]HH)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	121.8800	0.000	1	121.8800	0.000	1	127.8847	3.850	55	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	N[5](C[5]C[5]I)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	128.3807	1.044	3	128.3807	1.089	3	128.3807	1.089	3	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<4>}	127.0650	0.074	2	127.0650	0.005	2	127.0916	0.190	5	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<4>}	127.8120	0.000	1	127.8120	0.000	1	127.0916	0.190	5	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<3>}	126.6790	0.000	1	126.7580	0.012	2	127.0916	0.190	5	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<4>}	126.8370	0.000	1	126.7580	0.012	2	127.0916	0.190	5	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6a]-3:N[5]-3:H-1:	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	128.6270	0.000	1	128.6270	0.000	1	128.6270	0.000	1	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6a]-3:N[5]-3:S-1:	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S)	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S){1|H<1>,2|C<3>}	126.0040	0.000	1	126.0040	0.000	1	126.0040	0.000	1	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CBrHH)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]N[5])(CBrHH)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(H){1|H<1>}	127.8950	0.000	1	127.8950	0.000	1	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCCO)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	C(N[5]C[5]N[5])(CCCO)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H){1|H<1>}	129.8370	0.795	2	129.8370	0.632	2	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	126.5650	0.000	1	126.5650	0.000	1	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Cd)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cd<6>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Cd)(N[5]N[5]C)(H){1|H<1>}	128.7640	3.589	2	128.7640	12.883	2	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H){1|H<1>}	129.4580	1.690	2	129.4580	2.856	2	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Mn)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Mn<6>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Mn)(N[5]N[5]C)(H){1|H<1>}	129.8425	0.245	2	129.8425	0.060	2	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Ni)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ni<6>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Ni)(N[5]N[5]C)(H){1|H<1>}	129.3990	0.127	2	129.3990	0.016	2	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(H){1|H<1>}	128.0733	0.715	3	128.0733	0.511	3	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C[5](N[5]C[5]Ru)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ru<9>,1|H<1>}	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C[5](N[5]C[5]Ru)(N[5]N[5]C)(H){1|H<1>}	128.2900	0.997	2	128.2900	0.994	2	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	129.7740	0.000	1	129.7740	0.000	1	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	127.8280	0.000	1	127.8280	0.000	1	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](N[5]C[5]Zn)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Zn<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](N[5]C[5]Zn)(N[5]N[5]C)(H){1|H<1>}	128.9815	0.858	2	128.9815	0.736	2	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(COPP)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	C(N[5]C[5]N[5])(COPP)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(H){1|H<1>}	127.1450	0.000	1	127.1450	0.000	1	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCCH)(H)2	C[5](N[5]N[5]Fe)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	C(N[5]C[5]N[5])(CCCH)(H)2	C[5](N[5]N[5]Fe)(N[5]N[5]C)(H)	129.7349	0.957	9	129.7349	0.916	9	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]N[5]Fe)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]N[5]Fe)(N[5]N[5]C)(H)	129.2807	0.932	33	129.2807	0.868	33	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]N[5]Zn)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Zn<6>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]N[5]Zn)(N[5]N[5]C)(H)	129.6170	0.000	1	129.6170	0.000	1	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](N[5]N[5]Co)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Co<6>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](N[5]N[5]Co)(N[5]N[5]C)(H)	129.2400	0.865	4	129.2400	0.747	4	129.1743	1.211	69	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(S){1|C<3>}	127.5860	0.000	1	127.5860	0.000	1	126.8290	1.146	2	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	126.0720	0.000	1	126.0720	0.000	1	126.8290	1.146	2	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	128.2855	0.407	4	128.2855	0.166	4	128.2855	0.166	4	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:1:	C[5]-3:S[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H)	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H){1|H<1>,2|C<3>}	123.6065	1.013	2	123.6065	1.027	2	123.6065	1.027	2	128.1908	3.735	152	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	128.5130	1.055	2	128.5130	1.113	2	128.5130	1.113	2	128.5130	1.113	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:3:	C[5]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>}	122.7580	0.363	5	122.7580	0.132	5	122.7580	0.132	5	124.7979	14.444	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<3>}	127.3170	0.000	1	127.3170	0.000	1	127.3170	0.000	1	124.7979	14.444	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	132.4780	0.000	1	132.4780	0.000	1	132.4780	0.000	1	124.7979	14.444	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:Si-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH)	C(N[5]C[5]2)(SiSiCN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH){2|C<4>}	C(N[5]C[5]2)(SiSiCN)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	123.8010	0.000	1	123.8010	0.000	1	123.8010	0.000	1	123.8010	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	3:4:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:P-4:N[5]-3:	N[5](C[5]N[5]P)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Cu)(PC[6a]2Cu)(N[5]N[5]C)	N[5](C[5]N[5]P)(N[5]C[5])(CCHH){1|Cu<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]Cu)(PC[6a]2Cu)(N[5]N[5]C){1|H<1>}	130.1750	0.000	1	130.1750	0.000	1	130.1750	0.000	1	130.1750	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:1:1:	4:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH){1|Pd<4>,1|O<2>,3|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C){3|C<4>,4|H<1>}	130.4510	1.762	2	130.4510	3.105	2	130.4510	3.105	2	130.4510	3.105	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:2:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]N[5]C)(N[5]N[5])(CCHO)	C(N[5]C[5]N[5])(CHHO)(OC)(H)	C[5](N[5]N[5]Ru)(N[5]N[5]C)(CCC)	N[5](C[5]N[5]C)(N[5]N[5])(CCHO){1|Ru<8>}	C(N[5]C[5]N[5])(CHHO)(OC)(H)	C[5](N[5]N[5]Ru)(N[5]N[5]C)(CCC)	131.9340	0.000	1	131.9340	0.000	1	131.9340	0.000	1	131.9340	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:3:1:	4:3:1:	C[5]-3:S[5]-2:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(S[5]C[5])(CCCH)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	C[5](C[5]C[5]HN)(N[5]S[5]C)(O)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH){1|N<3>,3|H<1>}	C(N[5]C[5]S[5])(CCCH)(COO)(H)	C[5](C[5]C[5]HN)(N[5]S[5]C)(O){2|H<1>}	121.8050	0.670	2	121.8050	0.449	2	121.8050	0.449	2	121.8050	0.449	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	128.1637	0.169	3	128.1637	0.029	3	127.5502	0.878	5	128.0289	1.503	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	126.6300	0.796	2	126.6300	0.634	2	127.5502	0.878	5	128.0289	1.503	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	128.8267	1.406	3	128.8267	1.977	3	128.8267	1.977	3	128.0289	1.503	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH){1|P<3>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|P<3>,2|C<3>,2|H<1>}	126.7580	0.000	1	126.7580	0.000	1	126.7580	0.000	1	126.3470	0.130	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:1:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(N[5]O[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C[5](C[5]O[5]N)(N[5]N[5]C)(SC)	N[5](C[5]C[5]S)(N[5]O[5])(CCCH){1|N<2>}	C(N[5]C[5]N[5])(CH3)2(H)	C[5](C[5]O[5]N)(N[5]N[5]C)(SC)	126.2442	0.322	4	126.2442	0.103	4	126.2442	0.103	4	126.3470	0.130	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:1:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH){1|B<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(CH3)2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	127.5020	0.000	1	127.5020	0.000	1	127.5020	0.000	1	127.5020	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5])(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	125.8483	1.172	3	125.8483	1.374	3	125.8483	1.374	3	125.8483	1.374	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>}	124.4180	2.750	6	124.4180	7.560	6	124.2343	6.537	7	125.5664	4.737	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Si)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|Si<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Si)(N[5]C[5]C)(H){1|C<4>}	123.1320	0.000	1	123.1320	0.000	1	124.2343	6.537	7	125.5664	4.737	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5])(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5])(CC3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>}	123.9365	0.227	2	123.9365	0.052	2	123.9365	0.052	2	125.5664	4.737	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CC3){2|C<3>}	C(N[5]C[5]N[5])(CH3)3	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){3|C<3>}	129.4720	0.462	2	129.4720	0.214	2	128.1267	5.537	3	125.5664	4.737	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C[5](N[5]N[5]Cu)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]N[5])(CC3){2|Cu<6>}	C(N[5]C[5]N[5])(CH3)3	C[5](N[5]N[5]Cu)(N[5]N[5]C)(H){1|Cu<6>}	125.4360	0.000	1	125.4360	0.000	1	128.1267	5.537	3	125.5664	4.737	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3)	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3){2|C<3>}	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	122.3830	0.000	1	122.3830	0.000	1	122.3830	0.000	1	125.5664	4.737	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:1:	C[5]-3:Se[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](C[5]C[5]H)(Se[5]N[5])(CC3)	C(N[5]Se[5]C[5])(CH3)3	C[5](N[5]Se[5]C)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(Se[5]N[5])(CC3){1|H<1>}	C(N[5]Se[5]C[5])(CH3)3	C[5](N[5]Se[5]C)(C[5]N[5]H)(H)	126.2403	0.970	12	126.2403	0.941	12	126.2403	0.941	12	125.5664	4.737	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]S)(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C[5](N[5]N[5]B)(N[5]N[5]C)(SIr)	N[5](C[5]N[5]S)(N[5]N[5])(CC3){1|B<4>}	C(N[5]C[5]N[5])(CH3)3	C[5](N[5]N[5]B)(N[5]N[5]C)(SIr)	129.9280	0.054	2	129.9280	0.003	2	129.9280	0.003	2	129.9280	0.003	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:3:	C[5]-3:Ge[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C-3:	N[5](C[5]C[5]C)(Ge[5]N[5])(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](C[5]C[5]C)(Ge[5]N[5])(CC3){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>}	125.0845	0.276	2	125.0845	0.076	2	125.0845	0.076	2	126.9550	10.535	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C)	N[5](C[5]C[6a]N[5])(N[5]N[5])(CC3){2|Re<6>,2|C<3>}	C(N[5]C[5]N[5])(CH3)3	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(N[5]N[5]C){1|Re<6>,2|C<3>,2|H<1>}	130.6960	0.000	1	130.6960	0.000	1	130.6960	0.000	1	126.9550	10.535	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:Si-4:	N[5](C[5]C[5]Si)(C[5]N[5])(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(SiClHN)	N[5](C[5]C[5]Si)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(SiClHN){1|C<4>}	124.8650	0.000	1	124.8650	0.000	1	124.8650	0.000	1	124.8650	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	3:4:4:4:	4:3:1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]CO)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	C(N[5]C[5]N[5])(CH3)3	C[5](C[5]C[5]CO)(N[5]N[5]C)(O){1|C<4>}	127.2470	0.000	1	127.2470	0.000	1	127.2470	0.000	1	127.2470	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:2:4:	4:3:1:1:	3:3:1:	C[5]-3:N[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	C[5](N[5]C[5]Zn)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|Zn<4>,1|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	C[5](N[5]C[5]Zn)(N[5]N[5]C)(H){1|H<1>}	127.4570	0.000	1	127.4570	0.000	1	127.4570	0.000	1	127.4570	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	2:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-3:C-4:	N[5](C[5]C[5,6]O)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,6])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6]O)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,6])(N[5]C[5]C)(CH3){1|O<1>,2|C<4>}	127.3180	0.000	1	127.3180	0.000	1	127.3180	0.000	1	127.3180	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5,6]N[5,6]S[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]N[5,6])(H)	N[5](C[5,6]N[5,6]S[6])(C[5]N[5]H)(CH3){2|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]N[5,6])(H){1|C<4>,1|S<2>}	126.8200	0.000	1	126.8200	0.000	1	126.8200	0.000	1	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:Cl-1:	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(S[5]C[5,6])(Cl)	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3){1|C<2>,1|C<3>,1|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(S[5]C[5,6])(Cl){1|C<2>,1|C<3>}	124.5810	0.000	1	124.5810	0.000	1	124.5810	0.000	1	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	122.5605	0.933	2	122.5605	0.870	2	122.5605	0.870	2	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(Se){2|C<3>}	123.1750	0.421	2	123.1750	0.178	2	123.1750	0.178	2	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(C[5]N[5])(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(C[5]N[5])(H){1|Ir<8>,1|C<3>}	124.4720	0.000	1	124.4720	0.000	1	125.5350	2.260	2	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-2:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(C[5]N[5])(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(C[5]N[5])(H){1|C<4>,1|H<1>}	126.5980	0.000	1	126.5980	0.000	1	125.5350	2.260	2	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H){1|B<4>,1|C<4>}	126.0570	0.000	1	126.0570	0.000	1	126.4779	0.966	16	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<3>,1|S<2>}	127.1190	0.000	1	127.0777	0.074	4	126.4779	0.966	16	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H){1|H<1>,1|S<2>}	126.8805	0.134	2	127.0777	0.074	4	126.4779	0.966	16	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|Sn<5>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Sn<5>,1|S<1>}	127.4310	0.000	1	127.0777	0.074	4	126.4779	0.966	16	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)2(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)2(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	127.1642	0.592	6	127.1642	0.350	6	126.4779	0.966	16	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Ir<6>,1|C<4>}	125.0900	0.341	3	125.0900	0.116	3	126.4779	0.966	16	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pt)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pt)(C[5]N[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pt<4>,1|C<4>}	125.5120	0.438	2	125.5120	0.192	2	126.4779	0.966	16	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:O-1:	N[5](C[5]N[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(O)	N[5](C[5]N[5]O)2(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(O){1|C<4>,1|O<1>}	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(H){2|C<4>}	123.1860	0.000	1	122.4590	1.057	2	122.5537	0.555	3	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|H<1>}	121.7320	0.000	1	122.4590	1.057	2	122.5537	0.555	3	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]H)(C[5]S[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[5]H)(C[5]S[5]H)(CH3){1|P<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(H){1|H<1>,1|P<4>}	122.7430	0.000	1	122.7430	0.000	1	122.5537	0.555	3	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-1:	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(N)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(N){1|C<4>,1|H<1>}	119.1028	0.144	4	119.1028	0.021	4	119.1028	0.021	4	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<3>,1|O<1>}	122.4730	0.000	1	120.9326	3.453	5	120.9326	3.453	5	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	120.5475	1.901	4	120.9326	3.453	5	120.9326	3.453	5	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S){1|H<1>,1|P<3>}	121.2040	0.000	1	121.9933	0.864	3	122.5088	0.519	8	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S){1|H<1>,1|P<4>}	122.3880	0.891	2	121.9933	0.864	3	122.5088	0.519	8	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<3>,1|S<1>}	122.5800	0.000	1	122.8507	0.284	3	122.5088	0.519	8	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|S<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S){2|S<2>}	122.9860	0.677	2	122.8507	0.284	3	122.5088	0.519	8	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3){1|Se<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S){2|Se<2>}	122.7690	0.228	2	122.7690	0.052	2	122.5088	0.519	8	123.7972	7.240	45	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC[5]){2|C<3>}	123.1100	0.305	4	123.1100	0.093	4	122.3223	2.614	7	122.2356	2.582	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NN){2|C<3>}	121.2720	2.192	3	121.2720	4.806	3	122.3223	2.614	7	122.2356	2.582	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SBr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SBr){2|C<3>}	123.5145	1.634	2	123.5145	2.670	2	123.4153	1.039	4	122.2356	2.582	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SI){2|C<3>}	123.3160	0.639	2	123.3160	0.409	2	123.4153	1.039	4	122.2356	2.582	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NN)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NN){1|C<3>,1|C<4>}	119.3950	0.000	1	119.3950	0.000	1	121.1704	2.159	5	122.2356	2.582	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3){1|Br<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|Br<1>,1|H<1>}	121.4765	0.924	2	121.4765	0.854	2	121.1704	2.159	5	122.2356	2.582	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NN)	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NN){2|H<1>}	123.1240	0.000	1	123.1240	0.000	1	121.1704	2.159	5	122.2356	2.582	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]O)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NN)	N[5](C[5]C[5]O)(C[5]S[5]N)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NN){1|O<1>,2|H<1>}	120.3800	0.000	1	120.3800	0.000	1	121.1704	2.159	5	122.2356	2.582	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(S[5]C[5,6])(CCH)	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3){2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(S[5]C[5,6])(CCH){1|C<2>,1|C<3>}	123.7660	0.000	1	123.7660	0.000	1	123.7660	0.000	1	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCC){2|C<3>}	124.9570	1.047	2	124.9570	1.095	2	124.1408	1.465	19	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	124.3681	0.920	10	124.3681	0.847	10	124.1408	1.465	19	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]Br)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]Br){2|C<3>}	125.1220	0.000	1	125.1220	0.000	1	124.1408	1.465	19	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]C){2|C<3>}	123.8463	1.468	3	123.8463	2.156	3	124.1408	1.465	19	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]Cl)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]Cl){2|C<3>}	122.9920	0.000	1	122.9920	0.000	1	124.1408	1.465	19	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]H){2|C<3>}	121.1520	0.000	1	121.1520	0.000	1	124.1408	1.465	19	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]S){2|C<3>}	124.2750	0.000	1	124.2750	0.000	1	124.1408	1.465	19	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]O)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(NHH)	N[5](C[5]C[5]O)(C[5]N[5]N)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(NHH){1|O<1>,2|C<4>}	124.8980	0.000	1	124.8980	0.000	1	123.3240	4.955	2	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]N[5]N)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]S[5])(NCH)	N[5](C[5]N[5]N)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]S[5])(NCH){1|N<3>}	121.7500	0.000	1	121.7500	0.000	1	123.3240	4.955	2	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(CCH)	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(CCH){1|C<4>,1|H<1>}	122.8750	0.000	1	122.8750	0.000	1	122.8750	0.000	1	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NHH)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(NHH){1|C<4>,1|H<1>}	120.9190	0.000	1	120.9190	0.000	1	123.3660	11.976	2	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N[5](C[5]N[5]N)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]N[5])(NHH)	N[5](C[5]N[5]N)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]N[5])(NHH){1|N<3>}	125.8130	0.000	1	125.8130	0.000	1	123.3660	11.976	2	123.9478	1.944	25	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(CCHH)	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(CCHH){1|C<3>,1|O<1>}	127.8635	0.002	2	127.8635	0.000	2	127.7069	0.432	51	127.7742	0.659	52	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(CH3)	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(CH3){1|C<3>,1|O<1>}	127.7840	0.597	46	127.7840	0.357	46	127.7069	0.432	51	127.7742	0.659	52	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(C[5]N[5]S)(CH3){1|B<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<2>}	126.4203	0.350	3	126.4203	0.122	3	127.7069	0.432	51	127.7742	0.659	52	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]C[5])(CC3)	N[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){1|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]C)(N[5]C[5])(CC3){1|Ir<6>,1|C<3>}	131.2080	0.000	1	131.2080	0.000	1	131.2080	0.000	1	127.7742	0.659	52	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){2|C<4>}	127.6420	0.000	1	125.9950	5.425	2	125.9950	5.425	2	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){2|C<4>}	124.3480	0.000	1	125.9950	5.425	2	125.9950	5.425	2	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|B<4>,1|C<3>}	122.3410	0.000	1	122.3410	0.000	1	125.4619	1.771	14	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){4|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]C)(N[5]C[5,6]C)(H){2|C<3>}	122.9360	0.000	1	122.9360	0.000	1	125.4619	1.771	14	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>}	125.6510	0.000	1	125.6510	0.000	1	125.4619	1.771	14	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<4>,1|P<2>}	125.7343	0.553	8	125.7343	0.306	8	125.4619	1.771	14	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<4>,1|S<2>}	126.5550	0.522	3	126.5550	0.273	3	125.4619	1.771	14	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]Pt)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3){1|Pt<4>,1|O<1>,2|N<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]Pt)(N[5]C[5,6]C)(H){1|C<3>,1|N<3>}	132.0610	0.000	1	132.0610	0.000	1	126.9628	4.282	12	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]Pd)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pd<4>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]Pd)(N[5]C[5,6]C)(H){1|C<3>,1|N<2>}	126.5000	0.000	1	126.5000	0.000	1	126.9628	4.282	12	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]Pt)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]Pt)(N[5]C[5,6]C)(H){1|C<3>,1|N<2>}	125.1605	0.650	4	126.4993	2.083	10	126.9628	4.282	12	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]Pt)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]Pt)(N[5]C[5,6]C)(H){1|C<3>,1|N<2>}	127.3918	1.051	6	126.4993	2.083	10	126.9628	4.282	12	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	C(N[5]C[5,6a,6a]C[5])(H)3	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H)	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	C(N[5]C[5,6a,6a]C[5])(H)3	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H){2|B<4>}	122.9255	1.305	2	122.9255	1.702	2	122.9255	1.702	2	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C(N[5]C[5,6a]C[5])(F)3	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(F)3	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	123.5020	0.305	2	123.5020	0.093	2	122.9347	0.256	6	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:F-1:F-1:F-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C(N[5]C[5,6a]C[5])(F)3	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(F)3	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(Se){4|C<3>}	122.6510	0.270	4	122.6510	0.073	4	122.9347	0.256	6	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	123.6780	0.478	4	123.3563	1.193	6	123.3563	1.193	6	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	124.1340	0.000	1	123.3563	1.193	6	123.3563	1.193	6	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	121.2920	0.000	1	123.3563	1.193	6	123.3563	1.193	6	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Pd<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(H){2|C<3>}	123.3943	0.141	3	123.3943	0.020	3	123.3943	0.020	3	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	123.8900	0.603	29	123.8900	0.364	29	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	125.0090	0.000	1	124.2557	0.507	3	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	123.5930	0.000	1	124.2557	0.507	3	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	124.1650	0.000	1	124.2557	0.507	3	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>}	123.4590	0.000	1	123.4590	0.000	1	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	120.4690	0.194	2	123.4535	1.437	22	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	123.8370	0.658	19	123.4535	1.437	22	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	122.1370	0.000	1	123.4535	1.437	22	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Cl<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	121.0500	0.000	1	124.3128	1.369	11	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	124.6391	0.468	10	124.3128	1.369	11	123.8251	0.947	66	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	123.4010	0.440	2	123.4010	0.193	2	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(H){2|C<3>}	126.5123	0.896	3	126.5123	0.803	3	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	126.2538	0.309	5	126.0816	0.178	10	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|O<1>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<3>}	125.9767	0.527	4	126.0816	0.178	10	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	125.6400	0.000	1	126.0816	0.178	10	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.7061	0.714	20	125.3841	1.189	28	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	125.4020	0.395	3	125.3841	1.189	28	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	125.0860	0.000	2	125.3841	1.189	28	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	122.2470	0.194	2	125.3841	1.189	28	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.7630	0.000	1	125.3841	1.189	28	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	124.2240	0.000	1	125.3407	1.028	3	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	125.8990	0.430	2	125.3407	1.028	3	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Co<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	126.0165	0.284	2	126.0165	0.080	2	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){2|C<3>}	127.1135	0.349	2	127.4153	0.214	4	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cu<5>,1|O<1>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){1|C<3>,1|N<3>}	127.7170	0.396	2	127.4153	0.214	4	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]N[5])(N[5]C[5,6a]C)(H){4|C<3>}	125.6790	0.000	1	125.6790	0.000	1	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Os<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H){2|C<3>}	125.8345	0.155	2	125.8345	0.024	2	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Pt<4>,1|N<2>,1|N<3>,1|O<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	125.7492	1.044	5	125.7492	1.090	5	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Re<6>,1|N<2>,1|N<3>,1|O<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.6323	1.027	3	126.6323	1.055	3	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	126.9785	0.289	2	126.9785	0.084	2	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Zn<4>,1|N<3>,2|N<2>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	124.8720	0.000	1	125.7860	1.671	2	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Zn<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){2|C<3>}	126.7000	0.000	1	125.7860	1.671	2	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	126.2560	0.000	1	126.2560	0.000	1	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	125.5943	0.970	3	123.1445	4.479	8	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	121.6746	0.408	5	123.1445	4.479	8	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<3>,3|C<3>}	121.2250	0.000	1	121.2250	0.000	1	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<6>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	127.1700	0.519	2	126.9177	0.326	3	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<8>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.4130	0.000	1	126.9177	0.326	3	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Os<9>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.1200	0.000	1	126.1200	0.000	1	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.0422	0.840	11	126.1797	0.869	12	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	127.6930	0.000	1	126.1797	0.869	12	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|C<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<3>}	122.6300	0.000	1	125.4873	6.471	3	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.9160	0.834	2	125.4873	6.471	3	125.5966	2.265	96	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	125.8000	0.530	3	125.8000	0.281	3	125.8000	0.281	3	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(Se){2|C<3>}	124.7360	0.000	1	124.7360	0.000	1	125.1352	0.365	6	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	125.2150	0.639	5	125.2150	0.409	5	125.1352	0.365	6	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:F-1:F-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH)	C(N[5]C[5]2)(F)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(F)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	126.2350	0.000	1	126.2350	0.000	1	126.2350	0.000	1	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:F-1:F-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH)	C(N[5]C[5]2)(F)2(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(F)2(H)	C[5](N[5]C[5]C)2(S){2|H<1>}	123.1320	0.000	1	123.1320	0.000	1	123.1320	0.000	1	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	123.2193	0.530	10	123.2193	0.281	10	123.2193	0.281	10	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[4,5,6]O)(C[5]C[5,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[4,5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[4,5,6]O)(C[5]C[5,6]O)(CH3){1|C<4>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[4,5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.4420	0.000	1	123.4420	0.000	1	124.0432	1.016	15	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){2|C<3>,3|C<4>}	121.3650	0.000	1	121.3650	0.000	1	124.0432	1.016	15	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.0030	0.000	1	124.3768	0.663	5	124.0432	1.016	15	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.7202	0.312	4	124.3768	0.663	5	124.0432	1.016	15	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>}	124.3890	0.000	1	124.2362	0.016	4	124.0432	1.016	15	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	124.1853	0.092	3	124.2362	0.016	4	124.0432	1.016	15	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|S<2>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	124.4325	0.821	2	124.4325	0.674	2	124.0432	1.016	15	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]Se[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|Se<2>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]Se[6])(N[5]C[5]C)(O){1|Se<2>,1|C<3>,1|O<1>}	124.0735	1.520	2	124.0735	2.309	2	124.0432	1.016	15	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.9716	0.246	5	124.9716	0.060	5	123.3913	1.176	23	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	124.3640	0.038	2	124.3640	0.001	2	123.3913	1.176	23	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){1|N<2>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	122.6877	0.575	14	122.6877	0.331	14	123.3913	1.176	23	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|C<4>,2|C<3>}	123.3925	0.120	2	123.3925	0.014	2	123.3913	1.176	23	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,3|C<3>}	121.7934	1.259	10	121.7934	1.586	10	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){1|C<3>,1|N<2>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){3|C<3>}	122.8030	0.000	1	122.8030	0.000	1	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.2420	0.000	1	124.2420	0.000	1	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	124.0410	0.000	1	123.9714	0.469	21	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	123.7730	0.000	1	123.9714	0.469	21	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9559	0.734	18	123.9714	0.469	21	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.3790	0.000	1	123.9714	0.469	21	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	123.9300	0.000	1	123.9300	0.000	1	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.2980	0.305	2	124.2980	0.093	2	123.3584	1.694	36	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	127.6350	0.445	4	127.6350	0.198	4	127.1576	0.616	7	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3){1|Br<1>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	125.9100	0.000	1	125.9100	0.000	1	127.1576	0.616	7	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	126.8265	0.644	2	126.8265	0.415	2	127.1576	0.616	7	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|C<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	120.9850	1.523	4	122.0339	2.558	8	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	122.5580	1.021	2	122.0339	2.558	8	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<3>,1|C<4>}	123.6075	0.028	2	122.0339	2.558	8	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|C<4>,1|H<1>}	125.3990	0.202	2	125.3990	0.041	2	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	125.8600	0.000	1	126.7540	1.598	2	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	127.6480	0.000	1	126.7540	1.598	2	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	124.7010	0.334	3	124.7010	0.112	3	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	125.0068	0.584	5	124.5900	1.315	6	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	122.5060	0.000	1	124.5900	1.315	6	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	123.8930	0.000	1	123.8930	0.000	1	123.9142	3.798	22	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|B<4>,1|B<5>,1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	121.7600	0.716	2	123.1561	1.231	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.1540	0.539	2	123.1561	1.231	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	124.3650	0.502	2	123.1561	1.231	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<4>,2|B<4>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|C<4>}	124.4760	0.788	2	123.1561	1.231	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	122.8020	0.198	2	123.1561	1.231	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	122.3795	0.260	2	123.1561	1.231	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pt)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pt)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	124.6050	0.465	2	124.6050	0.216	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.1605	0.770	6	123.3565	0.386	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.5525	0.406	6	123.3565	0.386	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	120.9605	0.373	2	120.7942	0.231	10	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	120.7526	0.517	8	120.7942	0.231	10	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	120.3095	0.366	2	120.3095	0.134	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,1|I<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|B<4>}	124.1360	0.000	1	123.2738	1.759	6	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|B<3>}	124.3005	1.132	2	123.2738	1.759	6	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<3>}	121.4860	0.000	1	123.2738	1.759	6	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	122.7100	0.912	2	123.2738	1.759	6	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|Al<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(H){2|Al<4>,1|C<4>}	125.3750	0.000	1	125.3750	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3){2|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(H){2|Pd<4>,1|C<3>}	123.1200	0.000	1	123.1200	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]C)(H){1|B<4>,1|C<4>,2|C<3>}	123.7020	0.000	2	123.7020	0.000	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	124.0630	0.853	6	123.2941	1.781	65	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.2159	1.355	59	123.2941	1.781	65	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	122.1120	0.000	2	122.1120	0.000	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	123.7675	0.252	2	123.9157	0.098	3	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.2120	0.000	1	123.9157	0.098	3	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Al<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	125.6300	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.8950	0.064	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<2>,1|C<4>}	126.0010	0.376	4	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	122.8943	0.795	7	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	125.0575	1.086	93	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	123.1375	0.429	4	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<5>,1|C<4>}	126.0250	0.154	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	125.1303	0.928	9	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cr<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<5>,1|C<3>}	123.8140	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cr<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<3>}	124.6060	0.021	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	125.0720	1.545	8	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	122.9468	0.329	5	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	125.0750	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<4>}	125.8846	0.664	8	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	122.8272	0.181	4	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	123.2527	0.513	9	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	124.8572	1.466	20	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	124.6518	1.571	23	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	125.4897	0.258	3	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	125.9278	0.300	8	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	123.0680	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	126.4050	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	126.0082	1.305	5	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	125.8540	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Li<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Li<7>,1|C<4>}	125.3330	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<4>}	125.0974	1.585	10	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<8>,1|C<3>}	125.6900	0.851	4	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	125.5590	0.806	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<8>,1|C<4>}	124.6165	1.908	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	125.4773	0.322	7	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	127.0940	0.535	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<3>}	124.4660	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<4>}	126.5420	0.331	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	125.0710	0.100	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Pt<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	125.8970	0.208	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	125.2497	0.860	3	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	121.4630	0.910	3	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	125.7965	0.486	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	125.1490	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	126.6970	0.000	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	124.7890	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Sn<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sn<5>,1|C<3>}	125.0860	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<3>}	125.6035	0.375	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<4>}	125.7695	0.774	13	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<5>,1|C<4>}	125.9525	0.088	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<6>,1|C<4>}	125.8650	0.000	1	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	122.8950	0.733	2	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.3424	0.597	12	124.9693	1.748	302	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.8060	0.000	1	124.7534	0.897	5	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H){2|C<4>}	124.7403	1.093	4	124.7534	0.897	5	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<8>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	123.8010	0.304	2	123.8010	0.092	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<9>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Ru)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.7730	0.000	1	124.7730	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Al<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|H<1>}	125.9080	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	126.3102	0.686	16	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|H<1>}	126.1545	0.244	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<2>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<2>,1|H<1>}	126.1830	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.1470	0.947	47	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.8181	1.609	531	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cd<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<4>,1|H<1>}	126.4980	0.843	4	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cd<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	127.0475	0.368	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Co<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<5>,1|H<1>}	126.3600	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	126.2447	0.563	15	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|H<1>}	126.7820	0.513	4	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|H<1>}	126.0850	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	126.4105	0.951	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<6>,1|H<1>}	126.7637	1.786	3	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|H<1>}	126.2905	0.517	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|H<1>}	126.6995	0.361	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	126.1784	0.816	38	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|H<1>}	126.9673	0.182	4	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>}	125.3185	0.103	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|V<5>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|V<5>}	125.5860	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|V<6>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|V<6>}	126.2810	0.471	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|H<1>}	126.9495	0.689	4	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	126.6290	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	126.7974	0.480	11	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|H<1>}	126.3680	0.815	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<7>,1|H<1>}	126.7365	0.554	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<8>,1|H<1>}	127.1890	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|H<1>}	126.7550	0.826	9	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|H<1>}	127.9285	1.051	4	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pt<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|H<1>}	126.2745	0.785	6	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	126.5645	1.075	35	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Re<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<7>,1|H<1>}	126.4835	0.476	8	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Rh<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|H<1>}	125.8865	0.306	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Rh<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|H<1>}	126.8483	0.237	3	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ru<9>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	126.1796	0.448	8	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|H<1>}	126.1065	0.981	2	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<6>,1|H<1>}	126.0382	1.028	5	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Sm<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sm<6>,1|H<1>}	126.2160	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ti<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<6>,1|H<1>}	126.6600	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	126.7265	0.487	15	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Zn<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<5>,1|H<1>}	125.4810	0.000	1	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	125.7625	0.761	36	126.0057	1.965	838	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.1150	0.000	1	126.1150	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Os)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Os<7>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Os)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.7090	0.000	1	127.7090	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.0455	0.152	2	126.0455	0.023	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.3545	0.504	2	126.3545	0.254	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|I<1>}	125.1945	0.108	2	125.1945	0.012	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	124.4647	1.726	9	124.7547	3.489	10	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|Cd<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<5>,1|N<2>}	127.3650	0.000	1	124.7547	3.489	10	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	126.8080	0.000	1	126.8080	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	123.5770	0.000	1	123.5770	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<3>}	123.4220	0.741	2	123.4822	2.662	20	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<4>}	123.1892	1.719	6	123.4822	2.662	20	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	123.8543	1.515	3	123.4822	2.662	20	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	122.3420	0.365	3	123.4822	2.662	20	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<6>}	121.5755	0.243	2	123.4822	2.662	20	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|P<3>}	125.7863	0.752	3	123.4822	2.662	20	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|P<4>}	124.5650	0.000	1	123.4822	2.662	20	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]I)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|I<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]I)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	122.3380	0.000	1	122.3380	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	125.1447	0.562	16	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	125.5859	0.958	152	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	125.7538	0.997	37	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	124.7520	0.912	2	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	126.1205	0.415	2	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.1673	0.415	15	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	125.4016	0.911	92	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	124.9500	0.000	1	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|S<2>}	125.4164	0.411	5	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Mn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<4>,1|S<3>}	125.7310	0.000	1	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|S<3>}	125.3440	0.000	1	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|S<2>}	124.8737	2.042	7	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|S<2>}	125.5040	0.830	3	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|S<3>}	125.4730	0.000	1	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<7>,1|S<2>}	125.9700	0.000	1	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Rh<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|S<2>}	126.0888	0.518	4	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|S<1>}	125.4611	0.503	12	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|S<2>}	126.4993	0.527	26	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	125.0760	0.413	2	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<2>}	125.7645	1.444	40	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<3>}	124.3590	0.000	1	125.5810	0.999	421	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]I)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|I<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]I)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	125.2520	0.000	1	125.2520	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.4110	0.932	2	125.6553	0.613	3	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	126.1440	0.000	1	125.6553	0.613	3	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]W)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]W)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|W<9>}	122.0153	0.519	4	122.0153	0.270	4	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]S[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]H)(CH3){1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]P)(N[5]C[5]C)(H){1|H<1>}	123.5070	0.000	1	123.5070	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]Br)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3){1|Br<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]Br)(N[5]C[5]C)(H){1|N<2>}	123.1490	0.528	2	123.1490	0.278	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(H){1|N<2>}	123.3030	0.000	1	123.3030	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]P)(N[5]C[5]C)(H){1|S<1>}	123.5520	0.000	1	122.4993	1.145	3	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]P)(N[5]C[5]C)(H){1|S<1>}	121.9730	0.792	2	122.4993	1.145	3	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	125.1943	0.890	14	124.8722	1.738	41	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<3>}	125.4905	0.507	2	124.8722	1.738	41	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	122.7053	0.763	6	124.8722	1.738	41	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	123.7773	1.649	3	124.8722	1.738	41	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	124.8552	0.837	4	124.8722	1.738	41	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Rh<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	125.8732	1.052	4	124.8722	1.738	41	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<3>}	125.6977	0.500	8	124.8722	1.738	41	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	125.0680	0.000	1	123.9189	3.418	11	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	123.8300	0.251	4	123.9189	3.418	11	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	125.2960	0.000	1	123.9189	3.418	11	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	125.6520	0.000	1	123.9189	3.418	11	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	122.9430	2.825	4	123.9189	3.418	11	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	124.6310	0.824	2	124.2790	0.923	11	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Fe<5>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	124.2008	1.015	9	124.2790	0.923	11	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	123.8590	0.491	2	124.1372	0.625	8	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	123.9683	1.258	3	124.1372	0.625	8	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.2060	0.000	1	124.1372	0.625	8	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	124.6345	0.479	2	124.1372	0.625	8	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Be)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Be)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Be<3>,1|C<4>}	125.7215	0.333	2	125.7215	0.111	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Br<1>,1|C<4>}	125.6810	0.552	9	125.6810	0.304	9	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	123.2195	0.497	16	123.2862	0.265	18	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<8>,1|C<4>}	123.8195	0.390	2	123.2862	0.265	18	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<4>}	121.4270	0.160	4	122.8461	1.429	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	123.5556	0.713	8	122.8461	1.429	12	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	124.5531	1.219	8	124.4839	0.744	27	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	124.6070	0.776	10	124.4839	0.744	27	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	124.5184	0.460	7	124.4839	0.744	27	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|H<1>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|P<4>}	123.4700	0.065	2	124.4839	0.744	27	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	123.0102	0.412	4	122.2678	1.296	61	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	121.9327	0.667	4	122.2678	1.296	61	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	124.2135	0.240	2	122.2678	1.296	61	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	122.5240	0.000	1	122.2678	1.296	61	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	123.6162	0.761	6	122.2678	1.296	61	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	122.1562	1.016	26	122.2678	1.296	61	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	121.1088	0.768	8	122.2678	1.296	61	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	122.0981	1.077	10	122.2678	1.296	61	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ga<4>,1|C<4>}	123.5300	0.462	2	123.5300	0.214	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	121.5920	0.000	1	121.5920	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<3>}	123.8755	1.982	2	122.7195	2.583	120	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	123.8014	1.943	18	122.7195	2.583	120	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	123.9201	1.157	10	122.7195	2.583	120	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	123.0225	1.454	24	122.7195	2.583	120	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	121.8537	1.311	52	122.7195	2.583	120	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	123.0024	0.897	14	122.7195	2.583	120	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]S)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|S<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]S)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	125.4800	0.000	1	125.4800	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mg<4>,1|C<4>}	123.3485	0.114	2	123.3080	0.021	4	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3){1|Mg<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|Mg<4>}	123.2675	0.211	2	123.3080	0.021	4	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<3>}	123.2570	0.000	1	122.0682	0.379	10	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<10>,1|C<4>}	121.4150	0.000	1	122.0682	0.379	10	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	121.7955	0.535	4	122.0682	0.379	10	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	122.2070	0.336	4	122.0682	0.379	10	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	122.3225	0.152	2	122.3225	0.023	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|B<4>}	124.0005	0.366	2	124.0425	1.088	45	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	123.3423	1.417	3	124.0425	1.088	45	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	125.0765	0.767	6	124.0425	1.088	45	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	124.0346	1.021	27	124.0425	1.088	45	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	123.4744	0.886	5	124.0425	1.088	45	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|H<1>}	123.5595	0.756	2	124.0425	1.088	45	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<3>}	124.0580	0.243	4	122.7213	1.841	13	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<3>}	123.2910	0.000	1	122.7213	1.841	13	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<9>,1|C<3>}	121.8870	0.000	1	122.7213	1.841	13	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<5>,1|C<4>}	123.3350	0.496	2	122.7213	1.841	13	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	121.8252	0.839	4	122.7213	1.841	13	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<4>}	119.9960	0.000	1	122.7213	1.841	13	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.9299	0.976	24	124.1545	1.021	133	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	124.1230	1.075	2	124.1545	1.021	133	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	124.2075	1.024	106	124.1545	1.021	133	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|N<3>}	123.9840	0.000	1	124.1545	1.021	133	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	124.0810	0.799	2	123.8217	3.050	63	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<5>,1|C<3>}	124.7330	0.754	2	123.8217	3.050	63	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<3>}	125.3760	0.000	1	123.8217	3.050	63	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	124.3495	1.191	44	123.8217	3.050	63	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<5>,1|C<4>}	124.5875	0.233	4	123.8217	3.050	63	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	120.8037	1.369	10	123.8217	3.050	63	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	123.5485	0.861	2	122.1811	2.217	19	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	121.9491	1.497	16	122.1811	2.217	19	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	123.1570	0.000	1	122.1811	2.217	19	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	123.8230	0.686	4	122.9173	4.541	64	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	123.5043	0.562	6	122.9173	4.541	64	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<3>}	125.2890	0.000	1	122.9173	4.541	64	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	124.1526	2.059	7	122.9173	4.541	64	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	124.5021	0.539	8	122.9173	4.541	64	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	121.8079	2.362	29	122.9173	4.541	64	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	123.2077	0.936	3	122.9173	4.541	64	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	122.9938	2.000	6	122.9173	4.541	64	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	125.0940	0.000	1	125.0940	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	124.5586	1.402	20	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	123.3108	1.446	13	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<10>,1|C<4>}	123.7900	0.424	2	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	121.4589	1.285	7	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	122.7721	1.186	8	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	121.8696	2.001	16	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<8>,1|C<4>}	121.7382	0.454	5	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	122.3760	1.269	17	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|H<1>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|P<4>}	123.2675	0.373	2	122.8857	3.049	90	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|B<4>}	125.0930	0.324	6	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<2>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<2>}	125.4215	0.759	2	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	124.9690	0.000	1	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	124.4350	0.400	3	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	124.7631	0.725	12	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	124.8864	0.938	64	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<3>,1|C<4>}	125.2908	1.456	4	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|Ru<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|Se<2>}	126.8015	1.242	2	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|H<1>}	125.4110	0.571	2	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|H<1>}	125.7093	1.264	6	124.9942	0.909	102	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Tc<6>,1|C<4>}	123.3630	0.872	8	123.3630	0.760	8	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Th<13>}	126.5390	0.000	1	126.4300	0.024	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Th<14>}	126.3210	0.000	1	126.4300	0.024	2	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]O[5]Pt)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5]O[5]Pt)(C[5]C[5]H)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]O[5]H)(N[5]C[5]C)(H){1|Pt<6>}	124.0440	0.000	1	124.0440	0.000	1	124.8341	3.261	2624	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]I)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]I)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	126.4590	0.081	2	126.4590	0.006	2	126.0022	0.909	5	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	126.7940	0.000	1	126.7940	0.000	1	126.0022	0.909	5	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(I){1|C<4>,1|P<3>}	124.3970	0.000	1	124.3970	0.000	1	126.0022	0.909	5	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(I){1|C<4>,1|S<2>}	125.9020	0.000	1	125.9020	0.000	1	126.0022	0.909	5	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|Re<5>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|Re<5>,1|C<3>}	119.4280	0.000	1	119.4280	0.000	1	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>}	123.8459	0.576	48	123.8459	0.332	48	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	124.8650	0.119	2	124.8650	0.014	2	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	124.1690	0.000	1	124.1690	0.000	1	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	120.9580	0.000	1	120.9580	0.000	1	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	125.0390	0.000	1	125.0390	0.000	1	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>}	124.2150	0.000	1	124.5200	0.718	6	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.6015	0.120	2	124.5200	0.718	6	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	125.1555	0.479	2	124.5200	0.718	6	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|Cl<1>,1|O<1>}	125.3910	0.000	1	124.5200	0.718	6	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	124.1040	0.000	1	124.1040	0.000	1	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	124.3950	0.000	1	124.3950	0.000	1	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	125.9360	0.000	1	125.9360	0.000	1	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	124.2998	0.805	4	124.3810	0.466	6	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.5435	0.554	2	124.3810	0.466	6	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.8108	0.215	6	124.8108	0.046	6	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5a]C[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	123.9870	0.000	1	123.9870	0.000	1	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3){3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<3>}	122.6633	0.249	7	122.6633	0.062	7	123.8947	0.951	83	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:H-1:	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3){1|C<4>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.1580	0.000	1	123.1580	0.000	1	123.1580	0.000	1	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	122.7120	0.000	1	122.7120	0.000	1	122.9653	0.354	3	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	122.5390	0.000	1	123.0920	0.612	2	122.9653	0.354	3	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.6450	0.000	1	123.0920	0.612	2	122.9653	0.354	3	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.5076	0.529	5	124.5076	0.280	5	124.5076	0.280	5	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|O<1>}	123.0130	0.000	1	123.0130	0.000	1	123.0130	0.000	1	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6a]-3:N[5]-3:Se-1:	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(Se)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3){4|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(Se){1|H<1>,3|C<3>}	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Br){2|Br<1>}	124.9123	0.356	4	124.9123	0.127	4	125.7697	0.712	13	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Br-1:	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Br)	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Br){2|H<1>}	126.1508	0.699	9	126.1508	0.489	9	125.7697	0.712	13	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|Br<1>}	124.8470	0.075	2	124.8470	0.006	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|B<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|C<4>}	125.2500	0.000	1	125.2500	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|C<3>}	122.4160	0.000	1	122.4160	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|C<3>}	123.5765	1.406	6	124.2469	1.262	14	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|C<2>,1|N<3>}	125.5280	0.000	1	124.2469	1.262	14	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|C<4>}	124.6384	0.430	7	124.2469	1.262	14	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){1|C<2>,1|C<3>}	125.8040	0.000	1	125.8040	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(H){1|C<2>,1|H<1>}	125.7270	0.000	1	125.7270	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|Cl<1>}	126.2540	0.122	2	126.2540	0.015	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[3,3,5,4x6]C[5])(N[5]C[5]C)(H){3|B<6>,3|H<1>}	125.3645	0.660	2	125.3645	0.435	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H){1|C<3>,2|H<1>,2|O<2>}	125.5670	0.806	4	125.5670	0.649	4	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|H<1>}	125.7364	1.413	7	125.7144	1.714	8	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<4>,3|H<1>}	125.5600	0.000	1	125.7144	1.714	8	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[6]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	125.4477	0.954	4	125.4477	0.911	4	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.8040	0.000	1	124.7990	1.282	8	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H){1|Fe<10>,2|C<4>,2|H<1>}	125.0670	0.354	2	124.7990	1.282	8	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>}	124.4908	1.344	5	124.7990	1.282	8	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Al)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Al<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Al)(N[5]C[5]C)(H){2|H<1>}	125.7880	0.000	1	125.7880	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	124.3730	0.000	1	124.3730	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	125.5891	2.316	36	125.5891	5.366	36	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(H){2|H<1>}	125.3890	0.696	2	125.3890	0.484	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]V)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|V<5>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]V)(H){2|H<1>}	121.3530	0.000	1	124.9560	9.839	3	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]V)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|V<6>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]V)(H){2|H<1>}	126.7575	0.453	2	124.9560	9.839	3	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<2>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|H<1>}	125.3390	0.000	1	125.6716	2.406	537	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|H<1>}	125.1047	0.231	3	125.6716	2.406	537	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|H<1>}	125.6852	1.565	525	125.6716	2.406	537	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<3>}	124.7465	0.131	2	125.6716	2.406	537	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|H<1>}	125.0680	0.000	1	125.6716	2.406	537	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Ir<8>,1|H<1>}	125.9310	0.000	1	125.6716	2.406	537	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Os<7>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Os<7>,1|H<1>}	124.1570	0.000	1	125.6716	2.406	537	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	125.2003	0.439	3	125.6716	2.406	537	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cd<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H){2|H<1>}	126.8265	1.934	4	126.6085	2.451	6	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cd<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H){2|H<1>}	126.1725	0.684	2	126.6085	2.451	6	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Co<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	128.0780	0.000	1	126.5516	0.695	17	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.4562	0.759	16	126.5516	0.695	17	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	126.3745	0.557	4	126.3062	0.520	10	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	125.9370	0.000	1	126.3062	0.520	10	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	126.5790	1.332	2	126.3062	0.520	10	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	126.1563	0.895	3	126.3062	0.520	10	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H){2|H<1>}	126.4955	0.674	2	126.3047	0.694	46	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H){2|H<1>}	126.1095	0.161	2	126.3047	0.694	46	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H){2|H<1>}	126.4100	0.838	38	126.3047	0.694	46	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H){2|H<1>}	125.3072	0.254	4	126.3047	0.694	46	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(H){2|H<1>}	125.3475	0.415	4	125.5000	0.245	5	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(H){2|H<1>}	126.1100	0.000	1	125.5000	0.245	5	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H){2|H<1>}	126.1908	0.519	10	126.1908	0.270	10	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H){2|H<1>}	126.7700	0.768	2	125.9588	0.784	5	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H){2|H<1>}	125.4750	0.578	2	125.9588	0.784	5	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H){2|H<1>}	125.3040	0.000	1	125.9588	0.784	5	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H){2|H<1>}	125.8760	1.111	9	125.8760	1.235	9	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H){2|H<1>}	124.8487	1.317	4	124.8487	1.734	4	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pt<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(N[5]C[5]C)(H){2|H<1>}	125.2850	0.794	6	125.2850	0.630	6	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(H){2|H<1>}	125.8912	1.218	35	125.9785	1.240	43	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Re<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(H){2|H<1>}	126.3605	0.148	8	125.9785	1.240	43	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Rh<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(H){2|H<1>}	126.5580	0.352	2	125.9378	0.362	5	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Rh<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(H){2|H<1>}	125.5243	0.145	3	125.9378	0.362	5	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ru<9>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H){2|H<1>}	126.1390	0.767	9	126.1390	0.588	9	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Si)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Si)(N[5]C[5]C)(H){2|H<1>}	125.8247	0.659	4	125.8247	0.434	4	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Sm)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Sm<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Sm)(N[5]C[5]C)(H){2|H<1>}	126.3630	0.000	1	126.3630	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ti)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ti<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ti)(N[5]C[5]C)(H){2|H<1>}	125.9690	0.000	1	125.9690	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	125.9467	0.452	15	125.9981	0.233	16	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Zn<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	126.7690	0.000	1	125.9981	0.233	16	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	126.1290	0.000	1	126.1290	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	124.7428	0.636	4	124.8243	0.942	42	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.8328	1.005	38	124.8243	0.942	42	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]Si[5,6]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]Si[5,6]C[5])(N[5]C[5]C)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	124.5830	0.000	1	124.5830	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]Si[6]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]Si[6]C[5])(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|H<1>}	124.5430	0.180	2	124.5430	0.032	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|I<1>}	124.6785	0.134	2	124.1928	1.175	4	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|I<1>,1|P<3>}	124.8390	0.000	1	124.1928	1.175	4	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|I<2>,1|P<4>}	122.5750	0.000	1	124.1928	1.175	4	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|N<3>}	123.4660	0.000	1	123.4660	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|N<3>}	125.0720	0.433	2	125.0720	0.187	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Os<7>,1|H<1>,2|C<3>}	121.4590	0.000	1	121.5795	0.029	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Os<8>,1|H<1>,2|C<3>}	121.7000	0.000	1	121.5795	0.029	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<3>}	124.1180	0.615	2	124.0922	0.977	16	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<4>}	123.8440	0.000	1	124.0922	0.977	16	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|I<1>,1|P<3>}	122.1100	0.000	1	124.0922	0.977	16	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|I<2>,1|P<4>}	122.5120	0.000	1	124.0922	0.977	16	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){2|P<4>}	124.4974	0.821	10	124.0922	0.977	16	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|P<3>}	123.7990	0.000	1	124.0922	0.977	16	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|P<3>}	124.0240	0.000	1	123.8123	0.156	3	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|C<4>,1|S<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|S<2>}	124.0560	0.000	1	123.8123	0.156	3	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|Si<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|Si<4>}	123.3570	0.000	1	123.8123	0.156	3	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]S)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]S)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|S<2>}	124.3690	0.000	1	124.3690	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Si)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Si)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|Si<4>}	123.5230	0.000	1	123.5230	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Co<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|C<3>}	124.7052	0.704	8	124.7052	0.496	8	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Cu<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|C<3>}	126.2365	0.962	2	126.2365	0.926	2	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Ni<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H){2|C<3>}	124.2737	0.656	11	124.2737	0.430	11	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Pd<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H){2|C<3>}	124.4164	1.018	5	124.4164	1.037	5	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Zn<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|C<3>}	124.8475	0.849	15	124.8475	0.720	15	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]N[5]Sn)(N[5]C[5]C)(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|Sn<5>,1|Sn<6>}	C(N[5]C[5]2)(H)3	C[5](N[5]N[5]Sn)(N[5]C[5]C)(H){1|Sn<5>,1|S<1>}	126.6250	0.000	1	126.6250	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)2(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)2(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	126.4667	0.446	6	126.4667	0.199	6	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|Ir<8>,1|C<4>}	122.6460	0.000	1	122.6460	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]N[5]H)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|Ru<9>,1|C<4>}	122.3840	0.000	1	122.3840	0.000	1	125.5799	2.189	951	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(I)	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(I){2|C<3>,2|H<1>}	125.4910	0.212	2	125.4910	0.045	2	125.4910	0.045	2	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,5]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,5]C[6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	123.0330	0.000	1	123.0330	0.000	1	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	123.2465	0.631	2	123.2465	0.399	2	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|O<1>}	123.5330	0.455	2	123.5330	0.207	2	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]2)(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	123.5765	0.733	2	123.5765	0.538	2	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(O){2|O<1>}	124.5120	0.000	1	124.5120	0.000	1	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]N)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]N)(O){1|C<3>,1|C<4>,1|O<1>}	123.5257	0.511	3	123.5257	0.261	3	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(O){1|C<3>,1|C<4>,1|O<1>}	123.5260	0.000	1	123.5260	0.000	1	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|O<1>}	123.0885	0.234	2	123.3919	0.156	7	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|O<1>}	123.5540	0.444	4	123.3919	0.156	7	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<4>,1|H<1>,1|O<1>}	123.3500	0.000	1	123.3919	0.156	7	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]N[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6]N[5])(N[5]C[5]C)(O)	N[5](C[5]N[5]O)2(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6]N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	126.4400	0.000	1	126.4400	0.000	1	123.6272	0.652	20	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3){4|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<4>}	121.1820	0.388	3	121.1820	0.151	3	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(S){1|C<3>,2|H<1>,2|N<3>}	124.5275	0.943	2	124.5275	0.888	2	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	125.2388	0.656	15	125.2388	0.431	15	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	125.3160	0.778	2	125.3160	0.605	2	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){2|H<1>}	124.7030	0.000	1	124.4890	0.275	19	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){2|H<1>}	124.5769	0.512	15	124.4890	0.275	19	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<3>}	124.2050	0.164	2	124.4890	0.275	19	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	123.5250	0.000	1	124.4890	0.275	19	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Si)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Si)(N[5]C[5]C)(S){2|H<1>}	124.5361	0.429	12	124.5361	0.184	12	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	123.8490	0.000	1	123.8490	0.000	1	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<3>}	124.0315	0.425	2	123.1032	1.373	12	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	123.5920	0.532	7	123.1032	1.373	12	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){1|P<3>,1|P<4>}	121.8790	0.000	1	123.1032	1.373	12	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){2|P<4>}	121.0760	0.328	2	123.1032	1.373	12	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3){1|C<4>,1|S<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(S){2|S<2>}	123.7250	0.137	2	123.7250	0.019	2	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	123.3300	0.061	2	123.3300	0.004	2	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]N[5]Sn)(N[5]C[5]C)(S)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|Sn<5>,1|Sn<6>}	C(N[5]C[5]2)(H)3	C[5](N[5]N[5]Sn)(N[5]C[5]C)(S){1|Sn<6>,1|H<1>}	126.8780	0.000	1	126.3235	0.615	2	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]N[5]Sn)(N[5]C[5]C)(S)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|Sn<5>}	C(N[5]C[5]2)(H)3	C[5](N[5]N[5]Sn)(N[5]C[5]C)(S){1|H<1>}	125.7690	0.000	1	126.3235	0.615	2	124.2970	1.473	72	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Se){2|C<3>}	124.0620	0.602	4	124.0620	0.362	4	125.1801	0.887	18	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(Se){2|H<1>}	124.7140	0.332	2	124.7140	0.110	2	125.1801	0.887	18	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Se){2|H<1>}	125.7323	0.682	11	125.7323	0.465	11	125.1801	0.887	18	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se){1|N<2>,1|N<3>,2|H<1>}	124.5100	0.000	1	124.5100	0.000	1	125.1801	0.887	18	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:I-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI)	C(N[5]C[5]2)(H)2(I)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)2(I)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.2470	0.000	1	126.2470	0.000	1	126.2470	0.000	1	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:I-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI)	C(N[5]C[5]2)(H)2(I)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)2(I)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.3800	0.000	1	124.3800	0.000	1	124.3800	0.000	1	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,3|C<4>}	128.9005	0.066	2	128.9005	0.004	2	128.9512	0.466	5	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Cr<6>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cr<6>,1|C<4>}	127.9760	0.000	1	128.9850	0.925	3	128.9512	0.466	5	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|C<4>}	129.4895	0.568	2	128.9850	0.925	3	128.9512	0.466	5	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|Ir<8>,1|C<4>}	128.1140	0.000	1	128.4675	0.250	2	128.4675	0.250	2	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|Ru<9>,1|C<4>}	128.8210	0.000	1	128.4675	0.250	2	128.4675	0.250	2	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5])(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5])(N[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	126.6670	0.000	1	126.6670	0.000	1	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	127.3430	0.000	1	127.3430	0.000	1	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<5>,1|C<3>}	127.4607	0.797	6	127.2174	0.661	8	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	126.4875	0.173	2	127.2174	0.661	8	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	128.7922	0.769	5	128.7922	0.591	5	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|C<3>}	126.6950	0.746	8	126.6950	0.557	8	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	125.6976	0.602	11	125.6976	0.362	11	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	127.9105	0.183	2	127.9105	0.034	2	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|C<3>}	126.7560	0.000	1	125.8035	1.815	2	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|C<3>}	124.8510	0.000	1	125.8035	1.815	2	126.8256	1.508	38	124.9737	3.068	4178	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6])	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3){1|B<4>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6]){1|B<4>,2|H<1>,3|C<3>}	126.5740	0.000	1	126.5740	0.000	1	126.5740	0.000	1	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS){2|C<3>}	124.1840	0.000	1	124.1840	0.000	1	124.1840	0.000	1	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6a]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	124.6940	0.000	1	124.6940	0.000	1	124.6940	0.000	1	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CC){2|C<3>}	126.1480	0.000	1	126.1480	0.000	1	126.1480	0.000	1	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NC){2|C<3>}	125.0540	0.000	1	125.0540	0.000	1	125.1412	3.860	6	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]S)(NS){2|C<3>}	126.4090	0.000	1	126.4090	0.000	1	125.1412	3.860	6	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(NH){2|C<3>}	123.9275	0.134	2	123.9275	0.018	2	125.1412	3.860	6	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(NN){2|C<3>}	125.7645	3.734	2	125.7645	13.944	2	125.1412	3.860	6	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa){2|C<3>}	124.5003	0.269	3	124.5003	0.072	3	124.5730	0.069	4	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(ORe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(ORe){2|C<3>}	124.7910	0.000	1	124.7910	0.000	1	124.5730	0.069	4	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(PC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(PC[5]){2|C<3>}	125.7579	0.797	16	125.7579	0.635	16	125.7579	0.635	16	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(SRe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(SRe){2|C<3>}	126.2570	0.370	6	126.2570	0.137	6	126.2905	0.229	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(SI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(SI){2|C<3>}	125.9390	0.378	2	125.9390	0.143	2	126.2905	0.229	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(SPd)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(SPd){2|C<3>}	126.7425	0.759	2	126.7425	0.576	2	126.2905	0.229	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SeHg)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SeHg){2|C<3>}	126.9026	0.831	10	126.9026	0.690	10	126.7113	0.783	12	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	125.7550	0.461	2	125.7550	0.213	2	126.7113	0.783	12	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-2:	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC){1|Rh<4>,1|H<1>,2|C<3>}	123.4330	0.010	2	123.4330	0.000	2	123.4330	0.000	2	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-2:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Cu<5>,1|H<1>}	126.7350	0.000	1	126.7350	0.000	1	125.7278	0.481	5	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-2:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(CC)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(CC){1|Re<6>,1|H<1>}	125.6890	0.000	1	125.6890	0.000	1	125.7278	0.481	5	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-2:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]N)(N[5]C[5]C)(CN)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]N)(N[5]C[5]C)(CN){1|C<4>,1|H<1>}	125.9360	0.000	1	125.9360	0.000	1	125.7278	0.481	5	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-2:	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){1|C<2>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Pd<4>,1|C<4>}	125.1395	0.414	2	125.1395	0.171	2	125.7278	0.481	5	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:I-2:	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(IAu)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(IAu){1|C<4>,1|H<1>}	127.8050	0.000	1	127.8050	0.000	1	127.8050	0.000	1	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(SC[6a])	N[5](C[5]C[5]S)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(SC[6a]){1|C<4>,1|H<1>}	127.6620	0.000	1	127.6620	0.000	1	124.2043	4.275	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3){1|C<4>,1|S<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|C<4>,1|S<1>}	126.3230	0.064	2	126.3230	0.004	2	124.2043	4.275	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|S<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo){1|S<1>}	121.8615	0.660	2	121.8615	0.435	2	124.2043	4.275	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]Ir)(C[5]C[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(SC[6a])	N[5](C[5]N[5]Ir)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(SC[6a]){1|Ir<6>,1|C<4>}	123.4350	0.000	1	123.4350	0.000	1	124.2043	4.275	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]Mo)(C[5]C[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	N[5](C[5]N[5]Mo)(C[5]C[5]S)(CH3){1|C<4>,1|S<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|Mo<6>,1|C<4>}	122.6665	0.607	2	122.6665	0.369	2	124.2043	4.275	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]Pd)(C[5]C[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	N[5](C[5]N[5]Pd)(C[5]C[5]S)(CH3){1|C<4>,1|S<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|Pd<4>,1|C<4>}	124.6220	0.297	2	124.6220	0.088	2	124.2043	4.275	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Se-2:	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]Se)(N[5]C[5]C)(SeMo)	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3){1|Se<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]Se)(N[5]C[5]C)(SeMo){1|S<1>}	121.8645	0.391	2	121.8645	0.153	2	121.8645	0.153	2	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3){3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	128.5287	0.238	7	128.5287	0.057	7	128.6724	0.287	11	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|N<3>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	128.1120	0.000	1	128.1120	0.000	1	128.6724	0.287	11	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	128.3470	0.000	1	128.3470	0.000	1	128.6724	0.287	11	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	129.3240	0.000	1	129.6180	0.173	2	128.6724	0.287	11	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	129.9120	0.000	1	129.6180	0.173	2	128.6724	0.287	11	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:S[5]-2:	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3){1|S<1>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]){1|S<1>,2|H<1>,3|C<3>}	122.3990	0.204	2	122.3990	0.041	2	122.3990	0.041	2	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:As-2:	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(AsC[6a])	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(AsC[6a]){2|C<4>}	124.7340	1.672	2	124.7340	2.794	2	124.7340	2.794	2	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-2:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC){2|H<1>}	125.8312	1.099	4	125.8312	1.207	4	125.8312	1.207	4	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NN){2|H<1>}	126.4226	2.200	9	126.4226	4.838	9	126.4053	4.304	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]C)(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|Cd<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cd)(N[5]C[5]C)(NN){2|H<1>}	126.2500	0.000	1	126.2500	0.000	1	126.4053	4.304	10	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(OCu)	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(OCu){2|H<1>}	123.7420	0.000	1	123.7420	0.000	1	123.7420	0.000	1	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC){2|C<4>}	124.9090	1.554	4	124.9090	2.414	4	124.8766	1.041	22	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[5])	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[5]){2|C<4>}	125.2028	0.762	12	125.2028	0.580	12	124.8766	1.041	22	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a])	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]){2|C<4>}	124.2027	0.920	6	124.2027	0.847	6	124.8766	1.041	22	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SCu)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SCu){2|C<4>}	125.0785	0.302	4	125.0785	0.091	4	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SNi)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SNi){2|C<4>}	124.8660	0.235	2	124.8660	0.055	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SRh){2|C<4>}	125.1395	0.077	2	125.1395	0.006	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(SRu){1|C<3>,2|H<1>,2|N<3>}	124.9605	0.349	2	124.9605	0.122	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[6,6]C[5])(N[5]C[5]C)(SC){1|N<3>,2|C<4>,2|H<1>}	126.4670	0.000	1	126.4670	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SAg)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SAg){2|H<1>}	125.1848	0.411	4	125.1848	0.169	4	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SAl)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SAl){2|H<1>}	126.5230	0.000	1	126.5230	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SBi){2|H<1>}	124.5077	0.329	3	124.5077	0.108	3	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SC){2|H<1>}	126.2897	0.246	4	126.2897	0.061	4	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo){2|H<1>}	125.3237	0.617	3	125.3237	0.381	3	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCr){2|H<1>}	125.3498	0.379	6	125.3498	0.144	6	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCu){2|H<1>}	124.8670	0.877	3	124.8670	0.769	3	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SFe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SFe){2|H<1>}	125.1573	0.213	3	125.1573	0.045	3	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	126.4455	0.337	2	126.4455	0.114	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn){2|H<1>}	125.9385	0.179	2	125.9385	0.032	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SIr){2|H<1>}	125.0710	0.456	9	125.0710	0.208	9	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn){2|H<1>}	125.9218	0.326	5	125.6141	0.202	9	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn){2|H<1>}	125.2295	0.202	4	125.6141	0.202	9	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SMo)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SMo){2|H<1>}	125.2451	0.488	11	125.2451	0.238	11	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SNb)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SNb){2|H<1>}	125.8720	1.364	3	125.8720	1.860	3	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi){2|H<1>}	125.2927	0.494	9	125.2927	0.244	9	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SOs)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SOs){2|H<1>}	125.0210	0.000	1	125.0210	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SPd){2|H<1>}	125.0050	0.404	2	125.0050	0.164	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SPt)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SPt){2|H<1>}	124.4670	0.000	1	124.4670	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe){2|H<1>}	125.3015	1.026	12	125.2576	0.808	16	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRe){2|H<1>}	125.1260	0.387	4	125.2576	0.808	16	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRh){2|H<1>}	125.3777	0.663	18	125.3777	0.440	18	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	125.2275	0.640	30	125.1674	0.419	37	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	124.9097	0.663	7	125.1674	0.419	37	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(STc)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(STc){2|H<1>}	124.6810	0.000	1	124.6810	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(STe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(STe){2|H<1>}	125.3897	0.275	4	125.3897	0.075	4	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SU)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SU){2|H<1>}	125.7564	0.876	17	125.7564	0.767	17	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	125.9592	0.431	6	125.9592	0.186	6	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr){2|H<1>}	125.5264	0.627	8	125.5264	0.393	8	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SAg)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SAg){2|H<1>}	125.4960	0.585	2	125.4960	0.343	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SC){2|H<1>}	125.9886	0.841	8	125.9886	0.707	8	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SC[6a])	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SC[6a]){2|H<1>}	125.4800	0.782	2	125.4800	0.612	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SCo)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SCo){2|H<1>}	125.3050	0.515	3	125.3050	0.266	3	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){2|H<1>}	122.8945	2.246	2	122.8945	5.047	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SHg){2|H<1>}	125.3635	1.501	2	125.3635	2.254	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SPt)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SPt){2|H<1>}	125.1420	0.471	10	125.1420	0.222	10	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SRu){2|H<1>}	124.5356	0.953	5	124.5356	0.909	5	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SS)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SS){2|H<1>}	125.2175	1.824	2	125.2175	3.326	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SZn){2|H<1>}	124.9765	1.168	4	124.9765	1.364	4	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SBi){2|H<1>}	124.5099	1.118	19	124.5099	1.250	19	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SC){2|H<1>}	125.1160	0.000	1	125.1160	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SC[5])	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SC[5]){2|H<1>}	126.2665	0.047	2	126.2665	0.002	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SC[6a])	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|I<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SC[6a]){1|H<1>,1|I<1>}	123.9830	0.000	1	123.9830	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SCu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SCu){2|H<1>}	124.9955	0.659	24	124.9955	0.435	24	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SFe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SFe){2|H<1>}	124.7890	0.802	4	124.7890	0.644	4	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SIr){2|H<1>}	125.4802	1.247	22	125.4802	1.555	22	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SPd){2|H<1>}	125.1435	0.667	2	125.1878	0.254	5	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SPd){2|H<1>}	125.2173	0.531	3	125.1878	0.254	5	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SPt)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SPt){2|H<1>}	125.3950	0.014	2	125.3950	0.000	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SRh){2|H<1>}	124.8668	0.648	9	124.8668	0.420	9	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SS)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SS){2|H<1>}	125.4673	0.476	4	125.4673	0.226	4	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SZn){2|H<1>}	125.6520	0.499	2	125.6520	0.249	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(SC){2|H<1>}	127.0290	0.336	5	127.0290	0.113	5	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(SPd){2|H<1>}	126.7220	1.390	7	126.7220	1.931	7	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(SC){2|H<1>}	126.2145	0.040	2	126.2145	0.002	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(SRe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(SRe){2|H<1>}	126.1960	0.000	1	125.8905	0.187	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(SRe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(SRe){2|H<1>}	125.5850	0.000	1	125.8905	0.187	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Rh<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(SRh){2|H<1>}	125.6970	0.474	4	125.6970	0.224	4	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(SC){2|H<1>}	126.1815	0.520	26	126.1815	0.271	26	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SC[6a])	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SC[6a]){1|H<1>,1|I<1>}	125.4380	0.000	1	125.4380	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]H)(SPd)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]H)(SPd){1|C<3>}	124.9220	0.000	1	124.9220	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]C)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]B)(SSn)	N[5](C[5]N[5]C)(C[5]N[5]S)(CH3){1|B<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]B)(SSn){1|C<4>}	126.5027	0.378	3	126.5027	0.143	3	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(SPd)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(SPd){1|H<1>}	126.3270	0.000	1	126.3270	0.000	1	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]H)(SBi)	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]H)(SBi){1|H<1>}	126.2085	0.049	2	126.2085	0.002	2	125.3949	0.805	383	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SeRe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SeRe){2|H<1>}	125.4925	0.664	2	125.4925	0.441	2	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SeZn){2|H<1>}	126.0683	0.470	4	126.0683	0.221	4	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SeSe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SeSe){2|H<1>}	125.7743	0.990	6	125.7743	0.980	6	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeBr)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeBr){2|H<1>}	127.1400	0.000	1	127.1400	0.000	1	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeCu)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeCu){2|H<1>}	125.1745	0.969	20	125.1745	0.938	20	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeFe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeFe){2|H<1>}	125.3118	0.515	4	125.3118	0.265	4	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeHg)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeHg){2|H<1>}	125.9245	1.518	4	125.9245	2.303	4	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeI)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<2>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeI){2|H<1>}	124.9885	0.605	2	124.9885	0.366	2	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeIr)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeIr){2|H<1>}	126.1130	0.414	2	126.1130	0.172	2	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SePt)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SePt){2|H<1>}	125.7730	1.503	4	125.7730	2.259	4	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeRh)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeRh){2|H<1>}	125.1545	0.776	2	125.1545	0.602	2	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeSe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeSe){2|H<1>}	126.0866	0.416	14	126.0866	0.173	14	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeTe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeTe){2|H<1>}	125.7790	1.035	4	125.7790	1.070	4	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeZn){2|H<1>}	126.0338	1.012	9	126.0338	1.024	9	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(SeSe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|Ru<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(SeSe){2|H<1>}	125.9845	1.114	2	125.9845	1.240	2	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SePd)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SePd){2|C<3>,2|H<1>}	125.4143	0.399	3	125.4143	0.159	3	125.6859	0.844	83	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3){2|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|C<4>,1|H<1>}	128.5130	0.544	2	128.5130	0.296	2	128.5130	0.296	2	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd)	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd){2|H<1>}	130.3935	0.588	2	130.3212	0.322	4	130.3212	0.322	4	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd)	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<5>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](N[5]N[5]Pd)(N[5]N[5]C)(SPd){2|H<1>}	130.2490	0.775	2	130.3212	0.322	4	130.3212	0.322	4	125.5368	1.492	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N){2|C<3>}	126.8340	0.000	1	126.8340	0.000	1	126.6420	0.074	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N){2|C<3>}	126.4500	0.000	1	126.4500	0.000	1	126.6420	0.074	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Co<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,1|N<3>,4|C<3>}	130.1840	1.472	2	130.1840	2.167	2	127.9363	7.481	4	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)2{1|H<1>,4|C<3>}	125.6885	0.257	2	125.6885	0.066	2	127.9363	7.481	4	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.1563	0.370	3	129.1563	0.137	3	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.4540	0.000	1	128.4540	0.000	1	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.0005	0.274	2	129.0005	0.075	2	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.0817	3.025	7	129.0817	9.148	7	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.9417	0.106	3	129.0710	0.251	8	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.1486	0.643	5	129.0710	0.251	8	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	127.4708	1.347	15	127.4708	1.816	15	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.5790	0.000	1	129.5790	0.000	1	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.4387	0.244	4	129.4387	0.059	4	128.5234	2.748	41	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CCH){2|C<3>}	127.1300	0.910	4	127.1300	0.829	4	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]Be)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]Be){2|C<3>}	125.3047	0.183	3	125.3047	0.034	3	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]C){2|C<3>}	125.4725	0.095	2	125.4725	0.009	2	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]H){2|C<3>}	124.6615	0.763	2	124.6615	0.582	2	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]Ni)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]Ni){2|C<3>}	125.3155	0.261	2	125.3155	0.068	2	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]P){2|C<3>}	126.3679	0.766	8	126.3679	0.586	8	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]Pd)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]Pd){2|C<3>}	124.8300	0.356	2	124.8300	0.127	2	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]Rh){2|C<3>}	125.6400	0.687	2	125.6400	0.472	2	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	126.0297	0.125	3	126.0297	0.016	3	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh){1|H<1>,2|C<3>,2|C<4>}	124.8645	0.487	2	124.8645	0.237	2	125.8345	0.885	30	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	120.6835	1.650	6	120.6835	2.723	6	122.4310	12.442	8	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	127.6735	0.435	2	127.6735	0.189	2	122.4310	12.442	8	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6]N[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6]N[6]2){4|C<3>}	129.3957	0.834	3	129.3957	0.695	3	129.3115	0.291	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6]N[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6]N[6]2){4|C<3>}	129.2273	0.107	3	129.2273	0.011	3	129.3115	0.291	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	126.8770	0.000	1	127.2780	0.322	2	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.6790	0.000	1	127.2780	0.322	2	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	126.0127	0.267	4	126.3022	0.866	6	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	125.6340	0.000	1	126.3022	0.866	6	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.1280	0.000	1	126.3022	0.866	6	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Cu<5>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	128.4490	0.000	1	128.4490	0.000	1	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Fe<5>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	128.7770	0.000	1	128.7770	0.000	1	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ir<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	127.6626	1.237	8	127.6626	1.529	8	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Mn<5>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	129.2085	0.326	2	129.2085	0.106	2	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ni<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	128.7387	0.418	4	128.7387	0.175	4	127.6778	1.681	24	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](BC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](BC[6a]C[5])(N[5]C[5]C)2{2|H<1>}	125.6265	0.268	2	125.6265	0.072	2	125.6265	0.072	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[5]-3:N[5]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[5]C[5,5]B[5])(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[5]C[5,5]B[5])(N[5]C[5]C)2{1|N<3>,5|C<4>}	124.4860	0.591	2	124.4860	0.349	2	124.4860	0.349	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[6,6]-3:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2)(N[5]C[5]C)2{2|Cl<1>,2|H<1>,4|C<4>}	126.6250	0.225	2	126.6250	0.051	2	126.6250	0.051	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[5a]C[6a])(C[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|Re<5>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](CC[5a]C[6a])(C[5]C[5]Re)(N[5]C[5]C){1|C<3>,1|O<1>}	131.4280	0.000	1	131.4280	0.000	1	131.4280	0.000	1	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:C-3:	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	126.7820	0.000	1	126.7820	0.000	1	126.7820	0.000	1	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3){4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,1|H<1>,2|F<1>,4|C<3>}	125.4500	1.599	2	125.5420	0.864	4	125.4956	0.659	5	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3){4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,3|H<1>,4|C<3>}	125.6340	0.001	2	125.5420	0.864	4	125.4956	0.659	5	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3){4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Se<1>,3|H<1>,4|C<3>}	125.3100	0.000	1	125.3100	0.000	1	125.4956	0.659	5	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){1|C<3>,1|N<2>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	124.0730	0.000	1	124.3793	0.257	3	125.5696	2.382	11	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|H<1>,1|O<1>,2|C<3>}	124.5325	0.612	2	124.3793	0.257	3	125.5696	2.382	11	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN){1|H<1>,1|O<1>,2|C<3>}	127.9275	0.006	2	127.9275	0.000	2	125.5696	2.382	11	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H){1|H<1>,1|O<1>,2|C<3>}	126.7705	0.388	2	126.7705	0.151	2	125.5696	2.382	11	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	124.6830	0.766	4	124.6830	0.587	4	125.5696	2.382	11	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3){1|Re<6>,1|N<3>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Re<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	125.2380	0.000	1	125.2380	0.000	1	126.0503	0.727	3	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5a]C[5])(C[5]N[5]Pd)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]N[5]Pd)(CH3){1|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Pd<4>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	126.4565	0.681	2	126.4565	0.464	2	126.0503	0.727	3	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|C<4>,5|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	126.3275	0.467	2	126.3275	0.218	2	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	123.1675	0.357	2	123.0018	3.610	16	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<3>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<3>,1|C<4>,2|H<1>,4|C<3>}	124.7090	1.680	4	123.0018	3.610	16	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	122.8628	0.532	4	123.0018	3.610	16	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<5>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	121.1750	0.417	2	123.0018	3.610	16	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	119.8755	0.465	2	123.0018	3.610	16	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	124.6525	0.920	2	123.0018	3.610	16	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Co<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	127.3664	0.886	8	127.5281	0.737	42	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Cu<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,3|H<1>,4|C<3>}	126.6105	1.402	2	127.5281	0.737	42	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Ni<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,3|H<1>,4|C<3>}	127.7240	0.619	11	127.5281	0.737	42	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Pd<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,3|H<1>,4|C<3>}	128.0390	1.271	5	127.5281	0.737	42	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Zn<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	127.4294	0.762	16	127.5281	0.737	42	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3){1|Fe<5>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<5>,1|P<3>,2|H<1>,4|C<3>}	126.1256	0.841	9	126.1256	0.708	9	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	123.9255	0.216	2	123.9255	0.047	2	126.1950	4.835	71	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){1|C<4>,1|H<1>}	127.7188	1.716	6	127.8819	2.640	7	126.4279	3.134	15	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){2|H<1>}	128.8600	0.000	1	127.8819	2.640	7	126.4279	3.134	15	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5]H){1|C<4>,1|O<1>}	125.2800	0.000	1	125.2800	0.000	1	126.4279	3.134	15	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H){1|C<4>,1|O<1>}	125.1010	0.000	1	125.1010	0.000	1	126.4279	3.134	15	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH){1|Rh<6>,1|C<4>}	124.9155	0.042	2	124.9155	0.002	2	126.4279	3.134	15	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH){1|Se<1>,1|C<4>}	125.2585	0.195	4	125.2585	0.038	4	126.4279	3.134	15	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|B<4>,1|C<4>}	126.4510	0.000	2	126.4510	0.000	2	127.9588	1.603	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Cu<5>,1|C<4>}	128.2750	0.354	2	128.2750	0.125	2	127.9588	1.603	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|C<4>,1|H<1>}	129.5400	0.000	1	129.5400	0.000	1	127.9588	1.603	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]N[5]Rh)(C[5]C[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]N[5]Rh)(C[5]C[5]N)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Rh<6>,1|C<4>}	128.7610	0.000	1	128.7610	0.000	1	127.9588	1.603	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	126.5607	0.465	4	126.5607	0.217	4	126.0696	0.826	28	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	126.8715	0.226	4	126.0679	0.533	14	126.0696	0.826	28	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>}	125.7465	0.592	10	126.0679	0.533	14	126.0696	0.826	28	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C){1|B<4>,1|C<4>,2|C<3>,2|O<1>}	123.8310	0.000	2	123.8310	0.000	2	126.0696	0.826	28	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.7470	0.564	2	126.7470	0.318	2	126.0696	0.826	28	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]N[5]Ir)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Ir)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Ir<6>,1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.0893	0.750	4	126.0893	0.563	4	126.0696	0.826	28	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.6210	0.448	2	126.6210	0.201	2	126.0696	0.826	28	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|H<1>}	126.5750	0.365	2	126.5750	0.133	2	126.6815	1.695	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]I)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]I)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|H<1>}	128.4450	0.000	1	128.4450	0.000	1	126.6815	1.695	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|H<1>}	127.8670	0.000	1	127.8670	0.000	1	126.6815	1.695	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|S<1>}	125.1400	0.000	1	125.1400	0.000	1	126.6815	1.695	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PClN)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PClN){1|C<4>,1|S<1>}	125.4870	0.000	1	125.4870	0.000	1	126.6815	1.695	6	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3){1|Re<6>,1|N<3>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){1|H<1>,4|C<3>}	127.4150	0.000	1	127.4150	0.000	1	128.1994	3.388	13	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|H<1>,5|C<4>}	125.7410	0.901	2	125.7410	0.812	2	128.1994	3.388	13	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	126.1420	0.000	1	126.1420	0.000	1	128.1994	3.388	13	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	128.8945	0.105	4	128.8945	0.011	4	128.1994	3.388	13	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){2|C<3>,3|H<1>}	129.7700	1.768	4	129.7700	3.124	4	128.1994	3.388	13	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|N<3>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5]C){1|H<1>,3|C<3>}	126.8950	0.000	1	126.8950	0.000	1	128.1994	3.388	13	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	126.3647	1.098	3	126.3647	1.205	3	124.5164	4.728	7	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|S<1>,5|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	124.4030	1.239	2	124.4030	1.535	2	124.5164	4.728	7	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3){1|S<1>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C){2|H<1>,3|C<3>}	121.8575	0.105	2	121.8575	0.011	2	124.5164	4.728	7	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|C<4>,5|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,4|C<3>}	123.7340	0.375	2	124.1442	0.484	5	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|H<1>,3|C<3>}	124.4177	0.786	3	124.1442	0.484	5	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	126.6845	0.518	2	126.6845	0.269	2	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	127.2355	0.265	2	127.2355	0.070	2	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Fe<5>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	127.6532	0.848	10	127.6532	0.719	10	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C){1|F<1>,2|C<3>,2|H<1>}	128.9660	0.000	1	128.1577	0.503	3	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]C){2|C<3>,3|H<1>}	127.7535	0.161	2	128.1577	0.503	3	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(N[5]C[5]C){2|C<3>,3|H<1>}	128.3000	0.000	1	128.3000	0.000	1	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5]Pt)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	127.0140	0.264	2	127.0140	0.070	2	126.8758	2.521	25	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Ge[5]-3:N[5]-3:N[5]-3:	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](Ge[5]Ge[5]2)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Ge<4>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](Ge[5]Ge[5]2)(N[5]C[5]C)2{6|Si<4>,2|C<4>}	124.9030	0.669	2	124.9030	0.447	2	124.8213	0.483	4	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Ge[5]-3:N[5]-3:N[5]-3:	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](Ge[5]Si[5]2)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Si<4>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](Ge[5]Si[5]2)(N[5]C[5]C)2{6|Si<4>,2|C<4>}	124.7395	0.988	2	124.7395	0.976	2	124.8213	0.483	4	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Ge[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](Ge[6a]N[6a]2)(N[5]C[5]C)2	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](Ge[6a]N[6a]2)(N[5]C[5]C)2{2|C<4>,4|C<3>}	125.1800	0.468	2	125.1800	0.219	2	125.1800	0.219	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6]-3:N[5]-3:	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	124.5950	0.000	1	124.5755	0.001	2	124.5755	0.001	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6]-3:N[5]-3:	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	124.5560	0.000	1	124.5755	0.001	2	124.5755	0.001	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){1|N<2>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C){3|H<1>,4|C<3>}	126.4624	0.373	14	126.4624	0.139	14	126.4624	0.139	14	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:B[6,6]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]B[6,6]C[5])(B[6,6]C[6,6]2)(N[5]C[5]C)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]B[6,6]C[5])(B[6,6]C[6,6]2)(N[5]C[5]C){4|H<1>,6|C<4>}	126.1550	2.024	2	126.1550	4.096	2	126.1550	4.096	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	126.8810	0.337	2	126.8810	0.113	2	127.7613	2.971	26	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	130.3348	0.596	6	130.3348	0.356	6	127.7613	2.971	26	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	129.2525	0.576	2	129.0493	0.290	3	127.7613	2.971	26	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,3|H<1>}	128.6430	0.000	1	129.0493	0.290	3	127.7613	2.971	26	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]C){1|Re<6>,1|C<4>,2|C<3>,2|H<1>}	126.6175	0.674	4	126.6175	0.454	4	127.7613	2.971	26	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Rh<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	126.5187	1.037	4	126.5187	1.076	4	127.7613	2.971	26	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	126.6187	0.257	7	126.6187	0.066	7	127.7613	2.971	26	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(C[6]N[6]2)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(C[6]N[6]2)(N[5]C[5]C){2|H<1>,2|N<3>}	128.5270	0.000	1	128.5270	0.000	1	128.2095	0.202	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(C[6]N[6]2)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(C[6]N[6]2)(N[5]C[5]C){2|H<1>,2|N<3>}	127.8920	0.000	1	127.8920	0.000	1	128.2095	0.202	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|S<1>,5|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<1>,2|H<1>,5|C<3>}	124.7700	0.092	2	124.7700	0.008	2	124.7700	0.008	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:As-3:	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(AsFeC)	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(AsFeC){2|C<4>}	126.5070	0.267	2	126.5070	0.071	2	126.5070	0.071	2	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[5]B)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[5]B){2|C<4>}	124.3729	0.453	10	124.3729	0.206	10	124.6623	0.942	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[5]Cl)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[5]Cl){2|C<4>}	123.9835	0.675	2	123.9835	0.456	2	124.6623	0.942	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[5]H){2|C<4>}	123.7895	0.227	2	123.7895	0.052	2	124.6623	0.942	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCl2){2|C<4>}	127.0565	0.564	2	127.0565	0.318	2	124.6623	0.942	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCS)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCS){2|H<1>}	125.0065	0.248	2	125.0065	0.062	2	124.6623	0.942	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BSeC)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BSeC){2|H<1>}	124.9220	0.211	2	124.9220	0.044	2	124.6623	0.942	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CCC){2|C<4>}	125.7135	0.025	2	125.7135	0.001	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC[5]H){2|C<4>}	124.2730	3.069	2	124.2730	9.418	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CNS)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CNS){2|C<4>}	125.3152	0.094	4	125.3152	0.009	4	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(COO){2|C<4>}	126.8970	0.000	1	126.8970	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CCN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CCN){2|H<1>}	128.9430	0.000	1	128.9430	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){2|H<1>}	128.3100	0.000	1	128.3100	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CCO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CCO){2|H<1>}	129.0175	0.735	2	129.0175	0.540	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC[6a]O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC[6a]O){2|H<1>}	127.8215	0.561	2	127.8215	0.314	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(COO){2|H<1>}	127.1643	0.398	3	127.1643	0.158	3	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(CC[5]O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(CC[5]O){2|H<1>}	127.7186	0.682	8	127.7186	0.466	8	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(CHN){2|H<1>}	126.3620	0.000	1	126.3620	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cr)(N[5]C[5]C)(CCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cr<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cr)(N[5]C[5]C)(CCH){2|H<1>}	128.4900	0.000	1	128.4900	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cr)(N[5]C[5]C)(CC[5]O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cr<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cr)(N[5]C[5]C)(CC[5]O){2|H<1>}	127.8090	0.000	1	127.8090	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHN){2|H<1>}	127.6200	0.000	1	127.6200	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]O){2|H<1>}	128.7100	0.648	12	128.7100	0.420	12	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN){2|H<1>}	126.6351	0.625	8	126.9478	0.355	19	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN){2|H<1>}	127.5777	0.256	3	126.9478	0.355	19	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN){2|H<1>}	127.0242	0.462	8	126.9478	0.355	19	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CC[6a]O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CC[6a]O){2|H<1>}	128.4530	0.000	1	128.2200	0.109	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CC[6a]O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CC[6a]O){1|H<1>}	127.9870	0.000	1	128.2200	0.109	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CHN){2|H<1>}	126.6718	0.822	4	126.6718	0.676	4	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHN){2|H<1>}	127.5025	0.790	4	127.5025	0.624	4	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CNO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CNO){2|H<1>}	127.1919	0.551	7	127.3586	0.482	8	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CNO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CNO){2|H<1>}	128.5260	0.000	1	127.3586	0.482	8	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(N[5]C[5]C)(CCO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Pt<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(N[5]C[5]C)(CCO){2|H<1>}	126.5930	0.168	2	126.5930	0.028	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(CCO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(CCO){2|H<1>}	128.2300	1.062	2	128.2300	1.128	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(CHN){2|H<1>}	126.7330	0.000	1	126.7330	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Sn)(N[5]C[5]C)(CNO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Sn<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Sn)(N[5]C[5]C)(CNO){2|H<1>}	127.8680	0.000	1	127.8680	0.000	1	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHO){2|H<1>}	127.4820	0.240	2	127.4820	0.058	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]O)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]O){2|C<3>}	127.8050	0.974	2	127.8050	0.949	2	127.3701	1.377	89	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeBr2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeBr2){2|C<4>}	126.0655	0.366	2	126.0655	0.134	2	125.6950	0.207	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeCW)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeCW){2|C<4>}	125.7000	0.436	2	125.7000	0.190	2	125.6950	0.207	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeC[6a]2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeC[6a]2){2|C<4>}	125.5740	0.605	2	125.5740	0.366	2	125.6950	0.207	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeCl2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeCl2){2|C<4>}	125.5448	0.518	6	125.5448	0.269	6	125.6950	0.207	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeClW)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeClW){2|C<4>}	125.5620	1.022	2	125.5620	1.045	2	125.6950	0.207	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeII)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeII){2|C<4>}	125.7537	0.231	4	125.7537	0.053	4	125.6950	0.207	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeMoC)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GeMoC){2|C<4>}	125.9070	0.331	2	125.9070	0.110	2	125.6950	0.207	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCH){2|C<4>}	124.9340	0.132	2	124.9340	0.017	2	124.6266	0.657	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCrSi)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCrSi){2|C<4>}	124.3640	0.608	2	124.3640	0.370	2	124.6266	0.657	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NMoC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NMoC){2|C<4>}	124.7562	0.911	12	124.7562	0.830	12	124.6266	0.657	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NRuC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NRuC){2|C<4>}	124.2157	0.767	4	124.2157	0.588	4	124.6266	0.657	20	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[5]Cl)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[5]Cl){2|C<4>}	126.9515	0.468	4	126.9515	0.219	4	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]C)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]C){2|C<4>}	124.7470	0.395	2	124.7470	0.156	2	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PFeC)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PFeC){2|C<4>}	126.2210	0.349	2	126.2210	0.122	2	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PSS)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PSS){2|C<4>}	126.4073	0.524	8	126.4073	0.275	8	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]2)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]2){2|H<1>}	126.4540	0.000	1	126.6900	0.111	2	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]2)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|I<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]2){1|H<1>,1|I<1>}	126.9260	0.000	1	126.6900	0.111	2	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]P){2|H<1>}	125.6890	2.233	2	125.6890	4.986	2	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(PC[5]2)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(PC[5]2){2|H<1>}	126.7527	0.561	3	126.7527	0.314	3	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[6a]2){2|C<3>,2|H<1>}	127.1540	0.199	2	127.1540	0.040	2	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]2)	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]2){1|H<1>,1|I<1>}	126.4240	0.000	1	126.4240	0.000	1	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(PC[5]2)	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3){1|Fe<5>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(PC[5]2){2|C<3>}	126.0260	0.730	9	126.0260	0.533	9	126.3138	0.686	35	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-3:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SRu2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SRu2){2|H<1>}	126.4050	0.000	1	126.4050	0.000	1	126.4638	1.393	5	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-3:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SCu2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SCu2){2|H<1>}	124.7750	0.000	1	124.7750	0.000	1	126.4638	1.393	5	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-3:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(SMn2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(SMn2){2|H<1>}	126.6160	0.000	1	126.6160	0.000	1	126.4638	1.393	5	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-3:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(SOs2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Mn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(SOs2){2|H<1>}	128.1040	0.000	1	128.1040	0.000	1	126.4638	1.393	5	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-3:	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(SRe2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(SRe2){2|H<1>}	126.4190	0.000	1	126.4190	0.000	1	126.4638	1.393	5	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-3:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeCu2)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeCu2){2|H<1>}	125.0302	1.371	4	125.0302	1.879	4	125.0302	1.879	4	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC[5]Si)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC[5]Si){2|C<4>}	125.6513	0.534	6	125.6513	0.286	6	125.4488	0.419	18	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC[6a]H)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC[6a]H){2|C<4>}	125.0540	0.007	2	125.0540	0.000	2	125.4488	0.419	18	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC[6a]P)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC[6a]P){2|C<4>}	125.1655	0.995	2	125.1655	0.990	2	125.4488	0.419	18	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiSi2)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiSi2){2|C<4>}	125.6305	0.766	6	125.6305	0.586	6	125.4488	0.419	18	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiSiH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiSiH){2|C<4>}	124.9740	0.642	2	124.9740	0.412	2	125.4488	0.419	18	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Si-3:N[5]-3:N[5]-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5])(N[5]C[5]C)2{2|C<4>}	125.8920	1.109	4	125.8920	1.230	4	125.8920	1.230	4	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO)	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3){2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	130.1290	0.000	1	130.1290	0.000	1	130.1290	0.000	1	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5a]C[5])(N[5]C[5]Re)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[5a]C[5])(N[5]C[5]Re)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,3|C<3>}	128.6670	0.000	1	128.6670	0.000	1	128.6670	0.000	1	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<6>,2|H<1>,3|C<3>}	129.1870	0.365	2	129.1870	0.133	2	130.3656	1.164	10	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Zn<4>,2|H<1>,3|C<3>}	131.1297	0.321	6	131.1297	0.103	6	130.3656	1.164	10	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3){1|Pd<4>,5|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]C){2|H<1>,4|C<3>}	128.5220	0.000	1	128.5220	0.000	1	130.3656	1.164	10	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Ru<9>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.9820	0.000	1	129.9820	0.000	1	130.3656	1.164	10	126.6230	3.674	596	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BC3){2|C<3>}	127.3025	0.036	2	127.3025	0.001	2	127.1775	1.508	15	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BCCI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BCCI){2|C<3>}	127.0210	0.000	1	127.0210	0.000	1	127.1775	1.508	15	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BCCP)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BCCP){2|C<3>}	128.8930	1.752	2	128.8930	3.070	2	127.1775	1.508	15	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BCHH){2|C<3>}	125.8040	0.123	2	125.8040	0.015	2	127.1775	1.508	15	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BCSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BCSS){2|C<3>}	127.9685	0.327	2	127.9685	0.107	2	127.1775	1.508	15	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BS3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BS3){2|C<3>}	128.1740	0.389	2	128.1740	0.151	2	127.1775	1.508	15	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BSnCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(BSnCC){2|C<3>}	126.0895	0.161	4	126.0895	0.026	4	127.1775	1.508	15	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ag<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.5768	0.923	8	127.5768	0.852	8	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	125.9762	1.120	4	125.9762	1.254	4	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHO){2|C<3>}	127.4430	0.000	1	127.4430	0.000	1	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CHHN){2|C<3>}	125.8030	0.000	1	125.8030	0.000	1	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CC[5]HH){2|C<3>}	127.2568	1.028	4	127.2568	1.058	4	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(CHHO){2|C<3>}	126.2040	1.178	2	126.2040	1.388	2	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH){1|H<1>,2|C<3>,2|C<4>}	127.6630	0.176	8	127.6630	0.031	8	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CCHH){2|C<3>}	127.0920	0.000	1	127.0920	0.000	1	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CO){2|C<3>}	130.7015	0.301	2	130.7015	0.090	2	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.7885	0.296	2	127.7763	0.044	3	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.7520	0.000	1	127.7763	0.044	3	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO){2|C<3>}	127.4565	0.046	2	127.2077	0.187	3	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHO){2|C<3>}	126.7100	0.000	1	127.2077	0.187	3	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CHHS){2|C<3>}	127.1050	0.000	1	127.1050	0.000	1	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	128.4485	0.087	2	128.4485	0.008	2	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	126.2150	0.000	1	127.4090	1.071	3	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<7>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	128.0060	0.057	2	127.4090	1.071	3	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHO){2|C<3>}	126.7567	0.406	3	126.7567	0.165	3	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	127.4633	0.375	3	127.4633	0.141	3	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CCHH){2|C<3>}	128.2353	0.545	12	128.2353	0.297	12	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.0225	0.015	2	127.0225	0.000	2	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CHHO){2|C<3>}	126.4100	0.000	1	126.4100	0.000	1	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	126.0040	0.000	1	126.0040	0.000	1	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN){2|C<3>}	129.4215	0.132	2	127.5845	1.163	11	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.1762	0.648	9	127.5845	1.163	11	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.6065	0.532	2	127.6065	0.284	2	127.5226	1.094	78	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[5]C[5]2Fe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	127.0655	0.050	2	127.0655	0.003	2	127.5757	0.782	3	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[5]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[5]N[5]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[5]N[5]2H){1|C<4>,4|C<3>}	128.5960	0.000	1	128.5960	0.000	1	127.5757	0.782	3	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	127.1675	0.087	2	127.1675	0.008	2	127.1675	0.008	2	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(PC[5]SS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(PC[5]SS){2|C<3>}	127.7975	0.680	2	127.7975	0.462	2	127.7975	0.462	2	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-3:N[5]-3:C-4:	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH)	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3){1|C<4>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH){1|H<1>,2|C<4>}	125.8290	0.000	1	125.8290	0.000	1	125.8290	0.000	1	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3){1|B<5>,1|H<1>,2|C<4>,2|H<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	123.5790	1.438	2	123.5790	2.069	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3){1|C<3>,4|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	124.1430	0.034	2	124.1430	0.001	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3){2|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	123.1720	1.271	4	123.1720	1.614	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	123.8140	0.478	2	123.8140	0.228	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	122.2887	0.711	4	122.2887	0.506	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	125.1542	0.918	6	125.1542	0.842	6	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	124.0014	0.716	16	123.5313	0.935	28	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	122.9044	0.920	12	123.5313	0.935	28	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	125.3200	0.000	1	124.5622	1.246	26	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	124.5438	0.993	9	124.5622	1.246	26	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	124.5252	1.229	16	124.5622	1.246	26	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	125.1755	0.199	4	125.1755	0.040	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|B<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	126.3020	0.000	1	126.1895	0.129	8	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	126.1734	0.385	7	126.1895	0.129	8	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	125.0346	0.756	19	125.0346	0.572	19	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	124.4262	0.828	22	124.0831	0.804	40	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	123.7046	0.826	16	124.0831	0.804	40	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	123.3365	0.848	2	124.0831	0.804	40	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	124.8851	0.332	8	124.8851	0.111	8	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|C<3>}	123.0820	0.000	1	123.0820	0.000	1	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	122.3330	0.000	1	122.3330	0.000	1	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|H<1>}	124.7250	0.000	1	124.7250	0.000	1	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|N<2>}	125.6810	0.000	1	125.6810	0.000	1	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<1>}	125.0473	0.468	4	125.0642	0.166	5	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<3>}	125.1320	0.000	1	125.0642	0.166	5	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	119.9685	0.153	2	122.7990	2.545	10	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	123.1095	0.619	4	122.7990	2.545	10	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	123.9038	0.383	4	122.7990	2.545	10	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	124.5210	0.595	2	124.5210	0.354	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Ge<4>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	123.4620	0.912	2	123.6380	0.594	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Si<4>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	123.8140	0.909	2	123.6380	0.594	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	123.6165	0.568	2	123.6165	0.322	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Al)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	123.0135	0.204	2	123.0135	0.042	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<2>,1|C<4>}	124.4765	1.855	2	123.5860	2.220	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<3>,1|C<4>}	122.6955	0.220	2	123.5860	2.220	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Co)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Co)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	123.1229	0.539	20	123.1229	0.290	20	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	123.6667	0.427	7	123.3003	0.669	9	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	122.0180	0.171	2	123.3003	0.669	9	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	123.9432	0.316	6	123.9432	0.100	6	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	123.2215	0.689	20	123.2215	0.475	20	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	122.4591	0.581	16	122.6474	0.490	19	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	123.6513	0.289	3	122.6474	0.490	19	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|Ir<8>,1|C<4>}	123.2570	0.000	1	123.2570	0.000	1	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	122.4913	0.572	4	122.6108	0.230	6	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<4>,1|C<4>}	122.8500	0.027	2	122.6108	0.230	6	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	124.8659	1.150	8	124.8659	1.324	8	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	122.3890	1.203	2	122.3890	1.448	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|Ni<4>,1|C<4>}	124.3250	0.576	2	124.3250	0.331	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	125.9335	1.214	2	124.7856	0.540	14	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	124.7036	0.441	10	124.7856	0.540	14	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<5>,1|C<4>}	124.0480	0.075	2	124.7856	0.540	14	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	124.9867	0.592	6	124.6077	0.776	8	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<7>,1|C<4>}	123.4710	0.486	2	124.6077	0.776	8	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	124.5727	0.571	4	124.5727	0.327	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	123.8290	0.318	2	123.8290	0.101	2	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	123.3081	0.865	8	122.6066	1.263	18	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	121.5463	0.832	4	122.6066	1.263	18	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	122.7500	1.033	4	122.6066	1.263	18	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	121.6340	0.742	2	122.6066	1.263	18	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	123.0872	0.753	22	122.5294	1.455	57	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	122.1788	1.311	35	122.5294	1.455	57	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<2>,1|C<4>}	124.1817	0.507	4	124.1817	0.257	4	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<12>,1|C<4>}	120.8660	0.319	3	121.6160	1.106	5	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	122.7410	0.021	2	121.6160	1.106	5	123.6560	1.773	391	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|H<1>}	127.6620	0.000	1	127.6620	0.000	1	125.7689	5.067	10	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	126.1320	0.000	1	126.1320	0.000	1	125.7689	5.067	10	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	128.0260	0.000	1	128.3085	0.160	2	125.7689	5.067	10	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	128.5910	0.000	1	128.3085	0.160	2	125.7689	5.067	10	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S){1|C<4>,1|S<1>}	128.0690	0.000	1	128.0690	0.000	1	125.7689	5.067	10	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]W)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]W)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|W<6>}	124.0890	1.118	4	124.0890	1.249	4	125.7689	5.067	10	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|Mo<6>,1|C<4>}	122.8530	0.000	1	122.8530	0.000	1	125.7689	5.067	10	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:Si-4:	N[5](C[5]C[5]Si)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(SiC3)	N[5](C[5]C[5]Si)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(SiC3){1|C<4>,1|H<1>}	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCCI)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCCI){2|C<4>}	126.0470	0.000	1	126.0470	0.000	1	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCCS)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCCS){2|C<4>}	125.9880	1.093	2	125.9880	1.195	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6a]3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6a]3){2|C<4>}	127.0135	0.506	2	127.0135	0.256	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BHHN)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BHHN){2|C<4>}	125.1385	0.661	2	125.1385	0.437	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC3){2|H<1>}	128.0150	0.000	1	128.0150	0.000	1	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCCH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCCH){2|H<1>}	125.8260	0.402	2	125.8260	0.161	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCFF)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCFF){2|H<1>}	126.3995	0.438	2	126.3995	0.192	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCHH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BCHH){2|H<1>}	125.0600	0.528	12	125.0600	0.278	12	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[5]HH){2|H<1>}	125.6615	0.394	2	125.6615	0.155	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6]HH){2|H<1>}	125.6100	0.980	8	125.6100	0.960	8	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6a]2C)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6a]2C){2|H<1>}	127.1382	0.891	4	127.1382	0.794	4	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6a]CC)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6a]CC){2|H<1>}	127.5277	1.663	4	127.5277	2.766	4	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6a]CH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BC[6a]CH){2|H<1>}	125.8388	0.735	4	125.8388	0.540	4	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BF3){2|H<1>}	126.0515	0.676	4	126.1575	0.622	8	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	126.2635	0.982	4	126.1575	0.622	8	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BHHN)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BHHN){2|H<1>}	125.7280	0.594	4	125.7280	0.353	4	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BHNN)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BHNN){2|H<1>}	126.5510	0.284	2	126.5510	0.081	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BHSS)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BHSS){2|H<1>}	126.5965	1.798	2	126.5965	3.233	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BN[5]HH){2|H<1>}	124.7235	0.910	2	124.7235	0.828	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BTe2C)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BTe2C){2|H<1>}	128.0702	0.640	4	128.0702	0.410	4	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	124.8700	0.000	2	124.8700	0.000	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BF3)	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(BF3){1|H<1>,1|N<3>}	127.0420	0.000	2	127.0420	0.000	2	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3)	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5]C)(BH3){1|H<1>}	125.7710	0.000	1	125.7710	0.000	1	126.0757	1.340	73	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3){1|Br<1>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|Br<1>}	125.2720	0.000	1	125.2720	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	125.2655	0.248	4	125.2655	0.061	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|C<4>}	125.6220	0.000	1	125.6220	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC[5]HH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC[5]HH){2|C<4>}	126.6830	1.070	4	126.6830	1.145	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){2|C<4>}	127.6317	0.803	4	127.6317	0.645	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CHHW)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CHHW){2|C<4>}	124.3817	0.583	8	124.3817	0.340	8	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Al)(N[5]C[5]C)(CCHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Al<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Al)(N[5]C[5]C)(CCHN){2|H<1>}	126.4200	0.000	1	126.4200	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CC[6]HH){2|H<1>}	125.9500	0.000	1	125.9500	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|H<1>}	125.7731	0.781	7	125.7731	0.610	7	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	125.5220	0.758	3	125.5220	0.574	3	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(CHHP){2|H<1>}	126.2320	0.000	1	126.2320	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CAuHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CAuHH){2|H<1>}	123.6585	0.306	2	123.6585	0.094	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CCCH){2|H<1>}	127.4913	0.467	3	127.4913	0.218	3	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	125.3697	0.821	4	125.3697	0.673	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC[6a]2C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC[6a]2C){2|H<1>}	128.3890	0.892	2	128.3890	0.796	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CGaHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CGaHH){2|H<1>}	124.6465	0.177	2	124.6465	0.032	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){2|H<1>}	125.5861	1.044	73	125.6282	1.082	77	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CH3){1|Ir<8>,1|H<1>}	126.3958	0.649	4	125.6282	1.082	77	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CHHO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CHHO){2|H<1>}	126.0673	0.612	4	126.0673	0.375	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CHHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CHHP){2|H<1>}	126.2895	1.368	2	126.2895	1.872	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CIrHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CIrHH){2|H<1>}	125.6970	0.000	1	125.6970	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<8>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3){1|Rh<8>,1|C<3>,1|H<1>,1|N<3>}	126.1345	0.480	2	126.1345	0.231	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CIrHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CIrHH){2|C<3>,2|H<1>}	125.9170	0.000	1	125.9170	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(CHHN){2|H<1>}	126.2005	0.081	2	126.2005	0.007	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CCCH){1|C<4>,1|H<1>}	127.8537	0.184	3	127.8537	0.034	3	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]HH){2|H<1>}	126.5717	0.713	6	126.5717	0.509	6	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){2|H<1>}	126.7905	0.462	2	126.7905	0.213	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN){2|H<1>}	126.7642	0.469	6	126.7642	0.220	6	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CN[5]2H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CN[5]2H){2|H<1>}	129.7140	0.000	1	129.7140	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]2O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]2O){2|H<1>}	129.7387	0.252	3	129.7387	0.063	3	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN){2|H<1>}	126.4249	1.069	12	126.4249	1.143	12	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CN[5]HH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CN[5]HH){2|H<1>}	126.5670	0.423	2	126.5670	0.179	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CH3){2|H<1>}	126.0010	0.000	1	126.0010	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CHHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CHHP){2|H<1>}	125.3550	0.000	1	125.3550	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Li)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Li<7>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Li)(N[5]C[5]C)(CCHH){2|H<1>}	127.2490	0.000	1	127.2490	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CC[5]2O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CC[5]2O){2|H<1>}	130.2150	0.954	3	130.2150	0.910	3	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHHN){2|H<1>}	126.4599	0.691	7	126.4599	0.478	7	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CCHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CCHP){2|H<1>}	127.3040	0.000	1	127.3040	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CC[6]HN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<8>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CC[6]HN){2|H<1>}	127.6255	0.947	2	127.6255	0.896	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CHHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Mo)(N[5]C[5]C)(CHHP){2|H<1>}	126.6950	0.000	1	126.6950	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHHN){2|H<1>}	125.8675	0.476	2	126.2403	0.336	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHHN){2|H<1>}	126.6130	0.477	2	126.2403	0.336	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CC[5]CH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CC[5]CH){2|H<1>}	127.3910	0.153	2	127.3910	0.023	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(CC[5]2O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(CC[5]2O){2|H<1>}	130.9917	0.927	3	130.9917	0.858	3	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CCHH){2|H<1>}	126.5380	0.000	1	126.5065	0.002	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CCHH){2|H<1>}	126.4750	0.000	1	126.5065	0.002	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CHHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Rh)(N[5]C[5]C)(CHHP){2|H<1>}	126.1940	0.000	1	126.1940	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(CH3){2|H<1>}	126.4520	0.000	1	126.4520	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(CHHP)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Ru)(N[5]C[5]C)(CHHP){2|H<1>}	125.8440	0.000	2	125.8440	0.000	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN){2|H<1>}	126.7617	0.515	3	127.0403	0.221	6	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN){2|H<1>}	127.2595	0.299	2	127.0403	0.221	6	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHN){2|H<1>}	127.4380	0.000	1	127.0403	0.221	6	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHHO){2|H<1>}	126.2524	0.678	10	126.2524	0.459	10	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>}	125.7510	0.000	1	125.3730	0.286	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<9>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(CH3){1|Ru<9>,1|H<1>,1|N<2>,1|N<3>}	124.9950	0.000	1	125.3730	0.286	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	125.4160	0.000	1	125.4160	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	126.9170	0.000	1	126.9170	0.000	1	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){1|H<1>,1|N<3>}	125.6800	0.505	2	125.6800	0.255	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC3)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(CC3){2|C<3>}	126.0610	0.433	2	126.0610	0.187	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]2H)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<3>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]2H){2|C<3>}	127.5290	1.716	3	127.5290	2.944	3	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO){2|C<3>}	130.3225	0.302	2	130.6798	0.329	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<5>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CC[5]CO){2|C<3>}	131.0370	0.621	2	130.6798	0.329	4	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]CO)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CC[5]CO){2|C<3>}	132.0360	0.762	2	132.0360	0.581	2	126.3481	2.503	237	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GaC[5]HH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GaC[5]HH){2|C<4>}	124.3140	0.258	4	124.3140	0.067	4	124.8741	0.886	8	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GaH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GaH3){2|C<4>}	124.5820	0.552	2	124.5820	0.304	2	124.8741	0.886	8	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GaCl3)	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(GaCl3){2|H<1>}	126.2865	0.528	2	126.2865	0.279	2	124.8741	0.886	8	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[5]SS)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[5]SS){2|C<4>}	126.9010	0.595	2	126.9010	0.354	2	127.2655	0.614	6	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO){2|H<1>}	126.1910	0.000	1	126.1910	0.000	1	127.2655	0.614	6	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PPdCC)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PPdCC){1|C<4>,1|H<1>}	128.2390	0.000	1	128.2390	0.000	1	127.2655	0.614	6	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO){2|C<3>,2|H<1>}	127.6805	0.067	2	127.6805	0.005	2	127.2655	0.614	6	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC3){2|C<4>}	126.0275	0.704	2	126.0275	0.495	2	125.5425	0.922	14	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiCHW)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiCHW){2|C<4>}	126.8710	0.800	2	126.8710	0.641	2	125.5425	0.922	14	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC[5]HW)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiC[5]HW){2|C<4>}	124.9710	0.860	4	124.9710	0.739	4	125.5425	0.922	14	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiMnCH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiMnCH){2|C<4>}	124.7185	0.600	2	124.7185	0.360	2	125.5425	0.922	14	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiNOO)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiNOO){2|C<4>}	125.0130	0.266	2	125.0130	0.071	2	125.5425	0.922	14	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiSiBH)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiSiBH){2|C<4>}	126.2255	0.213	2	126.2255	0.045	2	125.5425	0.922	14	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	128.9200	0.000	1	128.9200	0.000	1	129.2113	0.318	7	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){2|C<4>}	129.0320	0.232	2	129.0320	0.054	2	129.2113	0.318	7	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){2|C<4>}	129.3738	0.730	4	129.3738	0.533	4	129.2113	0.318	7	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<7>,1|C<3>}	128.1930	0.000	1	128.1930	0.000	1	127.2955	6.630	21	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<3>}	127.1370	0.624	2	127.1370	0.389	2	127.2955	6.630	21	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	129.5270	1.173	3	129.5270	1.375	3	127.2955	6.630	21	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	128.6100	0.631	4	128.6100	0.398	4	127.2955	6.630	21	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<2>,1|O<2>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	129.9260	0.000	1	125.5539	9.164	9	127.2955	6.630	21	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	125.0074	2.720	8	125.5539	9.164	9	127.2955	6.630	21	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){2|C<3>,2|O<2>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	128.9770	0.000	1	128.9770	0.000	1	127.2955	6.630	21	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3){1|C<3>,1|C<4>}	128.7550	0.000	1	128.7550	0.000	1	127.2955	6.630	21	125.2633	4.306	870	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:6:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-6:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]F4)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]F4){2|H<1>}	128.5175	0.005	2	128.5175	0.000	2	128.5175	0.000	2	128.5175	0.000	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:C[5]-4:N[5]-3:	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(C[5]C[5]Pd2)(N[5]C[5]C)	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3){2|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(C[5]C[5]Pd2)(N[5]C[5]C){2|C<3>,3|H<1>}	129.5450	0.000	1	129.5450	0.000	1	129.5450	0.000	1	128.0108	1.065	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:P-4:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(PC[6a]2Ir)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(PC[6a]2Ir)(N[5]C[5]C){2|C<3>,2|H<1>}	127.0610	0.182	2	127.0610	0.033	2	127.6273	0.439	4	128.0108	1.065	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:P-4:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(PC[6a]2Pd)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(PC[6a]2Pd)(N[5]C[5]C){2|C<3>,2|H<1>}	128.1935	0.049	2	128.1935	0.002	2	127.6273	0.439	4	128.0108	1.065	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	B[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:S-1:	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3)	C(N[5]B[5]C[5])(H)3	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]B[5]C)(S)	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3){6|C<3>}	C(N[5]B[5]C[5])(H)3	C[5](C[4,5]C[4,5]C[6a]C[4])(N[5]B[5]C)(S){6|C<3>}	119.3050	0.000	1	119.3050	0.000	1	119.3050	0.000	1	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3){1|N<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Cl-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH)	C(N[5]C[5,6a]C[5])(Cl)(H)2	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH){2|Cl<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(Cl)(H)2	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O){2|C<3>}	123.1620	0.000	1	123.1620	0.000	1	123.1620	0.000	1	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	123.3760	0.000	1	123.6655	0.168	2	123.6655	0.168	2	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5,6]C[5,6,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.9550	0.000	1	123.6655	0.168	2	123.6655	0.168	2	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.5090	0.000	1	123.5090	0.000	1	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3,6]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	123.0920	0.000	1	123.0920	0.000	1	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	123.7960	0.000	1	124.0489	0.167	7	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	123.8393	0.432	3	124.0489	0.167	7	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	124.3427	0.294	3	124.0489	0.167	7	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|S<3>,2|C<3>,2|H<1>}	124.0080	0.000	1	123.4800	0.292	3	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]N[3])(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	123.2160	0.407	2	123.4800	0.292	3	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	121.1510	0.164	2	122.6763	1.661	6	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	123.4390	0.657	4	122.6763	1.661	6	123.4134	0.947	18	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	124.4520	0.000	1	124.4520	0.000	1	124.4520	0.000	1	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	124.4125	0.288	2	124.4125	0.083	2	124.0960	0.342	3	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	123.4630	0.000	1	123.4630	0.000	1	124.0960	0.342	3	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	122.7335	0.037	2	122.7335	0.001	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.8770	0.000	1	123.8770	0.000	1	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	124.3760	0.000	1	123.7113	0.468	3	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	123.7490	0.000	1	123.7113	0.468	3	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,4|C<3>}	123.0090	0.000	1	123.7113	0.468	3	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	124.4240	0.000	1	124.4240	0.000	1	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	123.9090	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	124.0710	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	125.3585	0.035	2	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	123.0720	0.059	2	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	123.2150	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	123.8290	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,6|C<3>}	122.9570	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	123.6420	0.867	7	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	123.2620	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.9135	0.549	2	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,7|C<3>}	123.5680	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.3590	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,1|S<2>,6|C<3>}	124.0580	0.143	2	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	123.9130	0.000	1	123.6409	0.678	24	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	123.3247	0.764	3	123.0727	0.566	10	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.9750	0.000	1	123.0727	0.566	10	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	122.1710	0.000	1	123.0727	0.566	10	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	123.5190	0.000	1	123.0727	0.566	10	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	123.2875	0.203	2	123.0727	0.566	10	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	121.6660	0.000	1	123.0727	0.566	10	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	123.8470	0.000	1	123.0727	0.566	10	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	123.1742	0.319	5	122.7950	0.792	7	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	122.8040	0.000	1	122.7950	0.792	7	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	120.8900	0.000	1	122.7950	0.792	7	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	123.0180	0.000	1	123.0400	0.001	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	123.0620	0.000	1	123.0400	0.001	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	123.4960	0.000	1	123.4960	0.000	1	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	123.5710	0.817	2	123.3517	0.478	3	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	122.9130	0.000	1	123.3517	0.478	3	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	124.1520	0.000	1	124.2335	0.013	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	124.3150	0.000	1	124.2335	0.013	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	123.5435	0.653	2	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,5|C<3>}	124.1070	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	123.0510	0.355	2	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	122.4400	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	123.7690	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	123.5770	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	124.6120	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	124.2960	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	123.8080	0.393	2	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.3875	1.058	4	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|H<1>,4|C<3>}	124.3525	0.057	2	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	122.8590	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	123.9560	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	124.0095	0.419	2	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	124.4230	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	123.9610	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	122.2110	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<2>,2|C<2>,5|C<3>}	124.3180	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	124.0640	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	124.3520	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	124.0002	0.238	6	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){4|C<3>,4|H<1>}	125.0480	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,2|N<2>,3|C<3>}	122.7180	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){6|C<3>}	123.7960	0.000	1	123.7726	0.486	37	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.5075	2.184	2	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	123.7830	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.9740	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	123.4320	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	123.1160	0.675	2	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	123.9234	0.806	5	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	122.6230	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	123.6990	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,6|C<3>}	122.7900	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|S<4>,2|H<1>,4|C<3>}	123.1260	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	123.5690	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	123.4570	1.005	5	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|H<1>,4|C<3>}	124.1030	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	122.0300	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	124.1030	0.120	2	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,4|C<3>}	124.0230	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	123.9220	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|O<1>,1|S<4>,4|C<3>}	123.2490	0.000	1	123.5406	0.663	29	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.5926	0.446	8	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.3490	0.000	1	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.1400	0.000	1	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.7840	0.093	2	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	123.7826	0.596	5	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	123.7835	0.216	2	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	124.0320	0.000	1	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	122.2110	0.000	1	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	124.8223	1.020	3	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	123.9170	0.000	1	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	123.3620	0.245	2	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	123.8280	0.000	1	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	123.8167	0.748	3	123.8035	0.434	31	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	123.6345	0.006	2	123.6345	0.000	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	122.9730	0.000	1	122.9730	0.000	1	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	122.7140	0.000	1	122.9795	0.141	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,3|C<4>}	123.2450	0.000	1	122.9795	0.141	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	123.2030	0.000	1	123.2030	0.000	1	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	123.6215	0.110	2	123.6215	0.012	2	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	124.2470	0.000	1	124.2470	0.000	1	123.5910	0.572	162	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	123.9520	0.000	1	123.9520	0.000	1	123.9520	0.000	1	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	123.4037	0.694	3	123.4037	0.481	3	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>}	123.5140	0.420	2	123.5140	0.176	2	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	123.5340	0.000	1	123.5340	0.000	1	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.7510	0.000	1	123.7510	0.000	1	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.8000	0.000	1	123.8000	0.000	1	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	123.0360	0.061	2	123.0360	0.004	2	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|F<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	121.4450	0.000	1	122.0185	1.082	4	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	122.2097	1.185	3	122.0185	1.082	4	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.3840	0.644	4	123.3840	0.415	4	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	123.3690	0.000	1	123.3690	0.000	1	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	123.6580	0.000	2	123.3300	0.098	5	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	123.1710	0.105	2	123.3300	0.098	5	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	122.9920	0.000	1	123.3300	0.098	5	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	122.7510	0.000	1	123.5415	0.732	4	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	124.7530	0.000	1	123.5415	0.732	4	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	123.3310	0.127	2	123.5415	0.732	4	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|Br<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	122.2560	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	123.3885	0.500	4	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	123.6090	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	122.4600	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	123.3110	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	125.1510	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	123.3250	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,4|H<1>}	124.4660	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	123.5137	0.340	3	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	123.6620	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	124.0855	0.862	2	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	124.0160	0.000	1	123.5846	0.529	18	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	124.1080	0.324	2	123.8160	0.322	6	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	123.4383	0.551	3	123.8160	0.322	6	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	124.3650	0.000	1	123.8160	0.322	6	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	124.3380	0.335	4	123.9581	0.163	10	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,3|C<3>}	123.8800	0.000	1	123.9581	0.163	10	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	123.7105	0.221	2	123.9581	0.163	10	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	123.4290	0.000	1	123.9581	0.163	10	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	123.7495	0.088	2	123.9581	0.163	10	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	123.9480	0.597	2	121.7288	3.147	6	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	120.6192	0.449	4	121.7288	3.147	6	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.5980	0.000	1	123.5980	0.000	1	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.2020	0.000	1	124.2020	0.000	1	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3){2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	123.7170	0.000	1	123.7170	0.000	1	123.3673	0.951	71	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S){1|S<2>,2|H<1>,5|C<3>}	124.4190	0.000	1	124.4190	0.000	1	124.4190	0.000	1	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]AlH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Al<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]AlH)(N[5]C[5,6a]C)(H){2|C<3>}	129.3690	3.161	2	129.3690	9.990	2	127.5927	7.553	4	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Ga<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H){2|C<3>}	125.8165	0.217	2	125.8165	0.047	2	127.5927	7.553	4	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(O){2|C<3>}	123.3525	0.299	2	123.3525	0.089	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	123.8430	0.000	1	123.3987	1.016	37	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	123.3569	0.883	12	123.3987	1.016	37	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	123.6618	0.684	22	123.3987	1.016	37	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	120.5325	0.083	2	123.3987	1.016	37	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	124.0632	1.012	10	124.0632	1.025	10	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	123.8483	0.475	15	123.8483	0.225	15	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	119.8710	0.000	1	123.1970	1.017	21	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	122.2145	0.885	2	123.1970	1.017	21	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	123.4967	0.578	16	123.1970	1.017	21	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	123.4445	0.043	2	123.1970	1.017	21	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	123.7310	0.000	1	123.9573	0.464	27	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	123.8870	0.712	21	123.9573	0.464	27	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	124.2978	0.545	5	123.9573	0.464	27	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O){2|C<3>}	123.1105	0.047	2	123.1105	0.002	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	124.1030	0.000	1	124.1030	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	122.1530	0.000	1	122.7330	0.375	3	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){5|C<3>}	122.6730	0.000	1	122.7330	0.375	3	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	123.3730	0.000	1	122.7330	0.375	3	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	123.1090	0.000	1	123.3315	0.099	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	123.5540	0.000	1	123.3315	0.099	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	121.5320	0.000	2	123.0296	1.087	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	123.9540	0.000	1	123.0296	1.087	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	123.7730	0.000	1	123.0296	1.087	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	123.5120	0.000	1	123.0296	1.087	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	123.3140	0.000	1	123.0296	1.087	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){5|C<3>}	123.5900	0.000	1	123.0296	1.087	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	123.9860	0.000	1	123.4446	0.344	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	123.3630	0.000	1	123.4446	0.344	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	123.3285	1.090	2	123.4446	0.344	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>}	122.8700	0.000	1	123.4446	0.344	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	123.6180	0.397	2	123.4446	0.344	7	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	123.1870	0.000	1	124.0442	0.345	5	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	124.3620	0.000	1	124.0442	0.345	5	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	124.7510	0.000	1	124.0442	0.345	5	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,3|C<3>}	123.9605	0.176	2	124.0442	0.345	5	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	123.5780	0.000	1	123.5780	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>}	123.2790	0.000	1	122.7773	5.326	3	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	122.5265	3.205	2	122.7773	5.326	3	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	123.9640	0.000	1	123.9640	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	122.3200	1.783	2	122.3200	3.180	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	123.0830	0.000	1	123.0830	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	122.7960	0.000	1	122.7960	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	122.8075	0.103	2	122.8075	0.011	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	123.9330	0.000	1	124.4850	0.609	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	125.0370	0.000	1	124.4850	0.609	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	123.5890	0.000	1	123.5890	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	123.5730	0.000	1	123.5730	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	123.1850	0.000	1	123.1850	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	123.7490	0.281	2	123.7490	0.079	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	123.3290	0.000	1	123.3290	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	123.8247	0.562	13	123.3132	1.427	17	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	120.6485	0.477	2	123.3132	1.427	17	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	122.6535	0.585	2	123.3132	1.427	17	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){7|C<3>}	123.3575	0.173	2	123.3575	0.030	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|F<1>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O){4|C<3>}	124.3530	0.000	1	124.3530	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	120.6650	0.000	1	120.6650	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	123.4120	0.000	1	123.4120	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O){4|C<3>}	122.8890	0.245	2	122.8890	0.060	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	123.6370	0.000	1	123.6370	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	124.2050	0.000	1	124.2050	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O){2|C<3>}	122.6600	0.000	1	122.6600	0.000	1	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	124.2840	0.000	1	123.2445	2.161	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){4|C<3>}	122.2050	0.000	1	123.2445	2.161	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	123.7440	0.221	2	123.7440	0.049	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	123.7310	0.802	2	123.7310	0.643	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	123.3225	0.112	2	123.3225	0.013	2	123.4897	0.892	193	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S){1|H<1>,4|C<3>}	124.6140	0.076	2	124.6140	0.006	2	124.6140	0.006	2	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O)	N[5](C[5]C[3,5]O)2(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	122.4335	0.094	2	122.4335	0.009	2	123.3148	1.065	4	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(O)	N[5](C[5]C[3,5]O)2(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	124.1960	0.280	2	124.1960	0.078	2	123.3148	1.065	4	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[4,5,6]O)(C[5]C[5,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(N[5]C[5]C)(O)	N[5](C[5]C[4,5,6]O)(C[5]C[5,6]O)(CH3){1|C<4>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2Cl)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CH3){2|Cl<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2Cl)(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.8730	0.000	1	122.7775	0.255	4	122.6860	0.269	6	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2Cl)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CH3){2|Cl<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2Cl)(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	123.1620	0.000	1	122.7775	0.255	4	122.6860	0.269	6	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2Cl)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CH3){2|Cl<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2Cl)(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	123.0340	0.000	1	122.7775	0.255	4	122.6860	0.269	6	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2Cl)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CH3){2|Cl<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]2Cl)(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	122.0410	0.000	1	122.7775	0.255	4	122.6860	0.269	6	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]C[4]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CH3){2|Cl<1>,1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]C[4]Cl)(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	122.0140	0.000	1	122.5030	0.478	2	122.6860	0.269	6	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]C[4]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CH3){2|Cl<1>,1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[4,5]C[4,5]C[4]Cl)(N[5]C[5]C)(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	122.9920	0.000	1	122.5030	0.478	2	122.6860	0.269	6	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	123.3125	1.166	2	123.3125	1.360	2	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2Br)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|Br<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2Br)(N[5]C[5]C)(O){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.0260	1.602	2	123.0260	2.567	2	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	123.2940	0.728	4	123.4036	0.346	28	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.2158	0.398	11	123.4036	0.346	28	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.6410	0.000	1	123.4036	0.346	28	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	123.6115	0.342	2	123.4036	0.346	28	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.9298	0.626	6	123.4036	0.346	28	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	123.2275	1.083	2	123.4036	0.346	28	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	122.9270	0.406	2	123.4036	0.346	28	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]N[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){1|C<3>,1|C<4>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]N[5,6])(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	124.0360	0.000	1	124.0360	0.000	1	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]N[5,6,6]C[5,5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CH3){1|C<3>,1|C<4>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,5,6]N[5,6,6]C[5,5])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	124.0170	0.000	1	124.0170	0.000	1	123.4127	0.435	34	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2C[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.4860	0.000	1	121.4860	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	123.6590	0.000	1	123.6590	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	122.7970	0.000	1	122.7970	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<3>}	122.8000	0.000	1	122.8673	0.004	3	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.9260	0.000	1	122.8673	0.004	3	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,4|C<3>}	122.8760	0.000	1	122.8673	0.004	3	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O){1|O<1>,4|C<4>,4|H<1>}	123.0730	0.000	1	123.0730	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]N[5,5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]N[5,5]C[5]2)(N[5]C[5]C)(O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	122.5890	0.000	1	122.5890	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]C)(O){1|O<1>,4|C<3>}	124.9570	0.000	1	124.9570	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.6995	0.132	2	124.6995	0.017	2	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	124.7020	0.000	1	124.7020	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5,6]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5,6]C[5,5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	121.3770	0.000	1	121.3770	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	123.1110	0.000	1	123.3042	0.603	5	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	122.2780	0.000	1	123.3042	0.603	5	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	124.0140	0.000	1	123.3042	0.603	5	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	123.5590	0.829	2	123.3042	0.603	5	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	123.6680	0.000	1	123.6446	0.726	5	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	123.6200	0.000	1	123.6446	0.726	5	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.2890	0.645	2	123.6446	0.726	5	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	122.3570	0.000	1	123.6446	0.726	5	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.7610	0.000	1	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<3>}	123.2900	0.000	1	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	123.1510	0.000	1	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	122.6780	0.940	2	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	123.2740	0.632	5	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|S<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	123.0140	0.000	1	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	123.1027	0.650	7	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	122.8613	0.569	6	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.7760	0.000	1	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	124.4630	0.000	1	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	123.2990	0.501	4	123.1755	0.380	30	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	123.1980	0.000	1	123.1980	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	123.2150	0.298	2	123.2729	0.113	9	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	123.2894	0.366	7	123.2729	0.113	9	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|S<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<4>}	123.9910	0.000	1	123.9910	0.000	1	123.2702	0.570	64	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:S-1:	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(S)	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3){4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(S){1|N<3>,2|C<3>,2|N<2>}	122.6120	0.206	2	122.6120	0.043	2	122.6120	0.043	2	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	123.2432	0.575	5	123.2513	0.371	35	123.2513	0.371	35	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.1003	0.846	3	123.2513	0.371	35	123.2513	0.371	35	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.2423	0.654	9	123.2513	0.371	35	123.2513	0.371	35	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.6201	0.621	8	123.2513	0.371	35	123.2513	0.371	35	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.9658	0.477	9	123.2513	0.371	35	123.2513	0.371	35	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	123.4440	0.000	1	123.2513	0.371	35	123.2513	0.371	35	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.9200	0.000	1	123.9200	0.000	1	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	124.3190	0.000	1	124.8115	0.485	2	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|N<3>,2|O<1>}	125.3040	0.000	1	124.8115	0.485	2	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[4,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[4,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	123.7190	0.000	1	123.7190	0.000	1	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.8957	0.644	4	122.8957	0.414	4	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	123.6250	0.000	1	123.6250	0.000	1	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.7720	0.000	1	123.5399	0.281	23	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.5748	0.515	22	123.5399	0.281	23	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,4|C<3>}	122.6050	0.000	1	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	123.5200	0.000	1	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	123.4230	0.000	1	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.6970	0.000	1	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	123.4615	0.202	2	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.5265	0.306	2	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	122.4220	0.000	1	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.0147	0.443	4	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.3185	0.131	2	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	123.4794	0.556	43	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.3116	0.362	9	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.8710	0.667	7	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.3465	0.258	2	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	123.4623	0.422	13	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	122.5913	0.301	3	123.3623	0.316	92	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	123.1930	0.000	1	123.1930	0.000	1	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.6620	0.000	1	123.6620	0.000	1	123.4133	0.342	126	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	126.3230	0.000	1	126.3230	0.000	1	126.3230	0.000	1	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|O<1>}	123.7090	0.000	1	123.8656	0.473	8	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	123.2795	0.716	2	123.8656	0.473	8	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>}	123.9670	0.730	2	123.8656	0.473	8	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	124.2410	0.745	3	123.8656	0.473	8	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|H<1>,2|C<3>}	123.0110	0.000	1	123.0110	0.000	1	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|N<3>}	123.6140	0.000	1	123.6140	0.000	1	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	124.8680	0.000	1	124.8680	0.000	1	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	124.3830	0.455	3	124.2917	0.326	6	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	124.2003	0.763	3	124.2917	0.326	6	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|O<1>,1|O<2>}	124.0430	0.000	1	124.4865	0.393	2	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	124.9300	0.000	1	124.4865	0.393	2	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	124.3705	0.904	2	124.3705	0.818	2	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]N)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|N<2>}	122.6330	0.000	1	122.6330	0.000	1	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	121.9470	0.000	1	121.9470	0.000	1	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	122.5987	1.862	3	122.5987	3.468	3	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	122.2295	0.013	2	122.6820	0.614	3	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.5870	0.000	1	122.6820	0.614	3	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	123.9860	0.000	1	123.5826	0.169	9	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	123.1195	0.363	2	123.5826	0.169	9	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	123.8017	0.109	4	123.5826	0.169	9	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.4055	0.585	2	123.5826	0.169	9	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	123.5350	0.000	1	123.5350	0.000	1	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.6770	0.000	1	122.6770	0.000	1	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	122.6060	0.000	1	122.6060	0.000	1	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	124.3130	0.375	2	123.3917	0.561	6	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	122.9883	0.198	3	123.3917	0.561	6	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3){2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,3|C<3>}	122.7590	0.000	1	123.3917	0.561	6	123.5684	0.824	47	123.4739	0.814	781	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3,5]2)(N[5]C[5,6a]C)(NS){1|C<4>,2|H<1>,3|C<3>}	128.1790	0.000	1	128.1790	0.000	1	125.8535	10.816	2	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(NS){3|C<3>,3|H<1>}	123.5280	0.000	1	123.5280	0.000	1	125.8535	10.816	2	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	122.5803	0.098	3	122.5803	0.010	3	122.5803	0.010	3	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS){2|C<3>}	124.7720	0.000	1	124.7720	0.000	1	124.6221	2.414	7	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS){2|C<3>}	125.3680	0.000	1	125.3680	0.000	1	124.6221	2.414	7	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|S<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS){2|C<3>}	123.9630	0.000	1	123.9630	0.000	1	124.6221	2.414	7	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS){6|C<3>}	127.5730	0.000	1	127.5730	0.000	1	124.6221	2.414	7	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|F<1>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	123.9490	0.684	2	123.9490	0.469	2	124.6221	2.414	7	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS){4|C<3>}	122.7810	0.000	1	122.7810	0.000	1	124.6221	2.414	7	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3){4|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	130.5637	0.531	3	130.5637	0.282	3	130.5637	0.282	3	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N-2:	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NH)	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3){4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NH){1|N<3>,2|C<3>,2|S<1>}	123.0265	0.030	2	123.0265	0.001	2	123.0265	0.001	2	125.2675	9.084	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[5]-4:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2{1|C<4>,1|H<1>,4|C<3>}	126.8755	0.852	2	126.8755	0.726	2	126.8755	0.726	2	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|F<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	125.2825	2.075	2	125.9649	1.101	41	125.7476	1.402	49	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	125.9999	1.010	39	125.9649	1.101	41	125.7476	1.402	49	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	124.3955	0.005	2	124.3955	0.000	2	125.7476	1.402	49	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I){2|C<3>}	126.5035	0.241	2	126.5035	0.058	2	125.7476	1.402	49	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	123.2120	0.000	1	123.2120	0.000	1	125.7476	1.402	49	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN){2|C<3>}	124.4230	0.304	2	124.4230	0.092	2	125.7476	1.402	49	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH){1|C<4>,3|C<3>}	123.2120	0.000	1	123.2120	0.000	1	125.7476	1.402	49	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](BC[5x3,5x5,20x6]HH)(N[5]C[5]C)2{2|C<4>}	126.0657	1.145	3	126.0657	1.312	3	126.7291	0.995	7	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](BC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	127.5220	0.812	2	127.5220	0.659	2	126.7291	0.995	7	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](BC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](BC[6a]Cl2)(N[5]C[5]C)2{2|H<1>}	126.9315	0.172	2	126.9315	0.030	2	126.7291	0.995	7	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3){1|C<3>,4|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,4|C<3>}	124.9220	0.598	2	124.9220	0.358	2	125.6464	1.260	16	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]B[3,6,6]C[5a]B[3])(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|B<4>,1|B<5>,1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](B[3]B[3,6,6]C[5a]B[3])(N[5]C[5]C)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	126.5705	1.351	2	126.5705	1.826	2	125.6464	1.260	16	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]C[3]N[3]C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[3]C[3]N[3]C)(N[5]C[5]C)2{1|Mn<8>,1|C<4>,2|H<1>}	125.8880	0.457	2	125.8880	0.209	2	125.6464	1.260	16	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{4|C<3>,4|H<1>}	125.1730	0.529	2	125.1490	0.115	4	125.6464	1.260	16	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{1|Pt<4>,3|H<1>,4|C<3>}	125.1250	0.250	2	125.1490	0.115	4	125.6464	1.260	16	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]S[3]2C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	C(N[5]C[5]2)(H)3	C[5](B[3]S[3]2C)(N[5]C[5]C)2{2|H<1>}	126.6310	0.468	2	126.6310	0.219	2	125.6464	1.260	16	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]Se[3]2C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[3]Se[3]2C)(N[5]C[5]C)2{2|H<1>}	126.9955	0.377	2	126.9955	0.142	2	125.6464	1.260	16	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]Pt)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]Pt)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{1|Pt<4>,3|H<1>,4|C<3>}	123.8665	0.141	2	123.8665	0.020	2	125.6464	1.260	16	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3a]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3){2|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2{2|Si<4>,2|C<4>,2|N<3>}	125.7682	1.072	4	125.7682	1.149	4	125.8208	0.525	15	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3a]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2C[5])(N[5]C[5]C)2{2|Si<4>,2|H<1>,2|N<3>}	125.7820	0.618	3	125.7820	0.382	3	125.8208	0.525	15	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3a]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2C[6a])(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2C[6a])(N[5]C[5]C)2{2|H<1>,4|C<3>}	125.9375	0.322	2	125.9375	0.104	2	125.8208	0.525	15	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3a]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{1|B<3>,1|C<3>,2|H<1>}	125.8340	1.297	2	125.8363	0.597	6	125.8208	0.525	15	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3a]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{1|Si<4>,1|B<3>,2|H<1>}	125.5845	0.612	2	125.8363	0.597	6	125.8208	0.525	15	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3a]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](B[3a]C[3a]2N)(N[5]C[5]C)2{2|B<3>,2|H<1>}	126.0905	0.821	2	125.8363	0.597	6	125.8208	0.525	15	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[4]-4:N[5]-3:N[5]-3:	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[4]S[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	C(N[5]C[5]2)(H)3	C[5](B[4]S[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	128.2760	0.140	2	128.2760	0.020	2	128.5120	0.320	10	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[4]-4:N[5]-3:N[5]-3:	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<3>,2|H<1>}	128.2900	0.699	4	128.5710	0.388	8	128.5120	0.320	10	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[4]-4:N[5]-3:N[5]-3:	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	128.8520	0.456	4	128.5710	0.388	8	128.5120	0.320	10	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[5,5]-4:N[5]-3:N[5]-3:	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[5,5]C[5,5,6]2C[6a])(N[5]C[5]C)2	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[5,5]C[5,5,6]2C[6a])(N[5]C[5]C)2{2|H<1>,8|C<3>}	128.5645	0.257	2	128.5645	0.066	2	128.5645	0.066	2	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{2|H<1>,6|C<4>}	125.9917	0.732	4	125.9917	0.536	4	126.8113	1.806	14	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|C<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2C[5])(N[5]C[5]C)2{2|Cl<1>,2|H<1>,2|N<3>,4|C<4>}	128.2388	1.456	4	128.2388	2.121	4	126.8113	1.806	14	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{2|Cl<1>,2|H<1>,4|C<4>}	126.7460	0.998	2	126.7460	0.997	2	126.8113	1.806	14	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{4|C<4>,4|H<1>}	126.0800	1.032	2	126.0800	1.066	2	126.8113	1.806	14	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2H)(N[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,4|C<4>,4|H<1>}	127.1590	0.000	1	127.1590	0.000	1	126.8113	1.806	14	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2I)(N[5]B[6,6]C[5])(N[5]C[5]C)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,1|I<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](B[6,6]C[6,6]2I)(N[5]B[6,6]C[5])(N[5]C[5]C){4|H<1>,6|C<4>}	125.6250	0.000	1	125.6250	0.000	1	126.8113	1.806	14	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	130.4490	0.000	1	130.4490	0.000	1	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	130.0825	0.878	2	130.0825	0.770	2	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Co)(N[5]C[5]C){2|H<1>}	129.1945	0.592	4	129.1945	0.350	4	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|H<1>}	129.2412	0.530	5	129.2412	0.281	5	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	129.7423	0.191	4	129.4834	0.284	18	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<5>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	129.3621	0.414	8	129.4834	0.284	18	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	129.4727	0.792	6	129.4834	0.284	18	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[6a]RuH)(N[5]C[5]C)(N[5]C[5]P)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](CC[6a]RuH)(N[5]C[5]C)(N[5]C[5]P){2|H<1>}	127.2780	0.000	1	127.2780	0.000	1	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<3>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](CC[5]C[6]O)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>}	129.4490	0.000	1	129.4490	0.000	1	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C-4:N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](CC[6a]C[5]O)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>}	128.7565	0.155	2	128.7565	0.024	2	129.3688	0.471	34	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3]-4:N[5]-3:N[5]-3:	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2{1|H<1>,5|C<4>}	126.0635	0.480	2	125.7163	0.284	6	125.7163	0.284	6	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3]-4:N[5]-3:N[5]-3:	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[3]C[3,5]N[3,5]H)(N[5]C[5]C)2{2|H<1>,4|C<4>}	125.5427	0.525	4	125.7163	0.284	6	125.7163	0.284	6	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.4030	0.000	1	124.4030	0.000	1	124.4030	0.000	1	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	129.1260	0.052	2	129.1260	0.003	2	127.7997	1.272	6	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2{7|C<4>}	127.1365	0.600	4	127.1365	0.360	4	127.7997	1.272	6	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Au)(C[5]N[5]I)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<2>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Au)(C[5]N[5]I)(N[5]C[5]C){1|C<4>,1|H<1>}	129.1010	0.000	1	129.1010	0.000	1	126.8598	1.343	20	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Cu)(C[5]N[5]P)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Cu)(C[5]N[5]P)(N[5]C[5]C){1|C<4>,1|H<1>}	127.1657	0.759	12	127.1657	0.576	12	126.8598	1.343	20	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	126.4840	0.590	4	126.4840	0.348	4	126.8598	1.343	20	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	126.2920	0.242	2	126.2920	0.058	2	126.8598	1.343	20	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:C[5]-3:N[5]-3:	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Mo)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Mo)(C[5]N[5]H)(N[5]C[5]C){1|Mo<6>,1|C<4>}	123.5860	0.000	1	123.5860	0.000	1	126.8598	1.343	20	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Rh)(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Rh)(N[5]C[5]C)2{2|H<1>}	128.3620	0.491	3	128.3620	0.241	3	128.3620	0.241	3	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Si-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5]Ag)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5]Ag)(N[5]C[5]C)2{2|C<4>}	127.1245	0.903	4	127.1245	0.816	4	127.4346	1.414	22	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Si-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5]Cu)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5]Cu)(N[5]C[5]C)2{2|C<4>}	126.9850	0.757	4	126.9850	0.574	4	127.4346	1.414	22	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Si-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5]Se)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5]Se)(N[5]C[5]C)2{2|C<4>}	128.1395	0.410	8	128.1395	0.168	8	127.4346	1.414	22	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Si-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5]Te)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](SiC[6a]C[5]Te)(N[5]C[5]C)2{2|C<4>}	128.1805	0.528	4	128.1805	0.279	4	127.4346	1.414	22	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	Si-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](SiC[6a]MnH)(N[5]C[5]C)2	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](SiC[6a]MnH)(N[5]C[5]C)2{2|C<4>}	124.6425	0.729	2	124.6425	0.531	2	127.4346	1.414	22	126.9934	2.830	207	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	125.6735	0.046	2	125.6735	0.002	2	125.6735	0.002	2	125.7277	0.010	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]Al2)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|Al<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]Al2)(N[5]C[5]C)(CHHN){2|H<1>}	125.8360	0.000	1	125.8360	0.000	1	125.8360	0.000	1	125.7277	0.010	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3,3]-5:N[5]-3:N[5]-3:	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3,3]B[3,3]H[3]2H)(N[5]C[5]C)2	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3){1|B<5>,1|H<1>,2|C<4>,2|H<2>}	C(N[5]C[5]2)(H)3	C[5](B[3,3]B[3,3]H[3]2H)(N[5]C[5]C)2{1|C<3>,1|H<1>,2|C<4>}	126.2010	0.856	2	126.2010	0.732	2	126.2010	0.732	2	125.4707	1.292	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3]-5:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](B[3]B[3,6,6]B[3]HH)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<4>,2|B<4>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](B[3]B[3,6,6]B[3]HH)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	124.7405	1.005	2	124.7405	1.010	2	124.7405	1.010	2	125.4707	1.292	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	2:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-2:N[5]-3:N-2:	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](N[5]C[5,5])(N[5]C[5]C)(NP)	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|C<3>,1|C<4>}	C(N[5]C[5]2)(OC)(H)2	C[5](N[5]C[5,5])(N[5]C[5]C)(NP){1|C<3>,1|C<4>,1|O<1>}	126.9110	1.267	2	126.9110	1.606	2	126.9110	1.606	2	126.9110	1.606	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	123.8670	0.000	1	123.8670	0.000	1	123.8670	0.000	1	123.8670	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-2:S-2:	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(SC[6a])	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO){1|H<1>,2|C<4>}	C(N[5]C[5]2)(OC)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(SC[6a]){1|C<4>}	126.2760	0.000	1	126.2760	0.000	1	126.2760	0.000	1	126.2760	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	122.8100	0.000	1	122.8100	0.000	1	123.1327	0.083	3	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	123.2940	0.100	2	123.2940	0.010	2	123.1327	0.083	3	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	126.8705	1.064	2	126.8705	1.133	2	126.8705	1.133	2	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	126.2720	0.460	2	126.2720	0.211	2	125.3492	2.746	6	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	124.2555	2.797	2	124.2555	7.821	2	125.3492	2.746	6	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|Pt<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	125.5200	1.243	2	125.5200	1.545	2	125.3492	2.746	6	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS)	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	123.7260	0.000	1	123.7260	0.000	1	123.7260	0.000	1	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	125.9100	0.530	4	125.9100	0.281	4	125.9100	0.281	4	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.3482	1.156	5	125.3482	1.337	5	125.5688	1.512	14	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.4180	0.000	1	125.6913	1.742	9	125.5688	1.512	14	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.6005	1.380	8	125.6913	1.742	9	125.5688	1.512	14	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]O[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]O[5]C)(N[5]C[5]C)(O){1|O<1>}	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)2(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)2(Br){2|Br<1>}	126.2322	0.568	4	126.2322	0.322	4	126.2322	0.322	4	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.5432	1.111	5	125.5432	1.235	5	125.0804	1.238	14	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.9194	1.123	8	124.9194	1.261	8	125.0804	1.238	14	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.0550	0.000	1	124.0550	0.000	1	125.0804	1.238	14	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)2(O){1|O<1>,2|C<3>}	122.8930	0.000	1	122.8930	0.000	1	122.8930	0.000	1	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CHHO)	C(N[5]C[5]2)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHO){2|C<3>}	C(N[5]C[5]2)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8345	0.735	2	123.8345	0.540	2	123.8345	0.540	2	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO)	C(N[5]C[5]2)(OC[6])(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO){1|C<4>,1|H<1>}	C(N[5]C[5]2)(OC[6])(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.5395	0.535	2	124.5395	0.287	2	125.4471	2.485	9	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	C(N[5]C[5]2)(OC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.2665	0.029	2	126.2665	0.001	2	125.4471	2.485	9	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	C(N[5]C[5]2)(OC[6])(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	C(N[5]C[5]2)(OC[6])(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.8653	0.982	3	126.8653	0.965	3	125.4471	2.485	9	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHO){1|C<3>,1|H<1>}	C(N[5]C[5]2)(OC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.4080	0.571	2	123.4080	0.326	2	125.4471	2.485	9	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	C(N[5]C[5]2)(OC)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.0995	0.131	2	125.0995	0.017	2	124.9596	0.320	5	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	C(N[5]C[5]2)(OC[6])(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	C(N[5]C[5]2)(OC[6])(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.8663	0.774	3	124.8663	0.599	3	124.9596	0.320	5	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO)	C(N[5]C[5]2)(OH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO){1|C<3>,2|H<1>}	C(N[5]C[5]2)(OH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	123.3240	0.000	1	123.3240	0.000	1	123.3240	0.000	1	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CHHS)	C(N[5]C[5]2)(SP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHS){2|C<3>}	C(N[5]C[5]2)(SP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.5325	1.081	2	123.5325	1.169	2	123.5325	1.169	2	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C(N[5]C[5]2)(SC[6a])(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	C(N[5]C[5]2)(SC[6a])(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	123.6540	0.000	1	123.6540	0.000	1	123.6540	0.000	1	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:Se-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH)	C(N[5]C[5]2)(SeC[6a])(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(SeC[6a])(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.4742	0.442	6	126.4742	0.196	6	126.4742	0.196	6	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:Se-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH)	C(N[5]C[5]2)(SeC[6a])(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(SeC[6a])(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.8072	0.354	5	124.8072	0.125	5	124.8072	0.125	5	125.2231	1.703	82	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](N[5]C[5,5]H)(N[5]C[5]C)(NC)	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|H<1>,2|C<4>}	C(N[5]C[5]2)(OC)(H)2	C[5](N[5]C[5,5]H)(N[5]C[5]C)(NC){1|O<1>,2|C<4>}	125.3400	0.000	1	125.3400	0.000	1	125.3400	0.000	1	125.3400	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO)	C(N[5]C[5]2)(OC[6])(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO){1|C<4>,1|H<1>}	C(N[5]C[5]2)(OC[6])(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	126.1170	0.028	2	126.1170	0.001	2	126.1170	0.001	2	127.1483	3.191	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CHHO)	C(N[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CHHO){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	129.2110	0.000	1	129.2110	0.000	1	129.2110	0.000	1	127.1483	3.191	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	123.2170	0.472	2	123.2170	0.223	2	123.2610	0.117	3	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	123.3490	0.000	1	123.3490	0.000	1	123.2610	0.117	3	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	122.9810	0.000	1	122.9810	0.000	1	122.9810	0.000	1	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	124.9090	0.000	1	124.9090	0.000	1	124.9090	0.000	1	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	124.8660	0.000	1	124.8660	0.000	1	124.4010	0.284	4	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	124.4270	0.000	1	124.4270	0.000	1	124.4010	0.284	4	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	124.1555	0.718	2	124.1555	0.515	2	124.4010	0.284	4	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	121.0210	0.000	1	122.3873	6.827	3	122.3873	6.827	3	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	120.7410	0.000	1	122.3873	6.827	3	122.3873	6.827	3	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	125.4000	0.000	1	122.3873	6.827	3	122.3873	6.827	3	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	121.5970	0.000	1	121.5970	0.000	1	121.3960	0.081	2	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Br<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(OC)(H)2	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	121.1950	0.000	1	121.1950	0.000	1	121.3960	0.081	2	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,4|C<3>}	124.3320	0.000	1	124.3320	0.000	1	124.3320	0.000	1	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|C<3>,1|C<4>}	C(N[5]C[5]2)(OC)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	124.0675	1.182	2	124.2570	0.806	3	124.2570	0.806	3	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|H<1>,2|C<4>}	C(N[5]C[5]2)(OC)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|N<2>,1|O<2>,3|C<4>,3|H<1>}	124.6360	0.000	1	124.2570	0.806	3	124.2570	0.806	3	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO)	C(N[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO){1|C<3>,2|H<1>}	C(N[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	124.7230	0.000	1	124.7230	0.000	1	124.7230	0.000	1	123.5293	2.142	19	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:2:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5]-4:N[5]-3:C[5]-2:	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO)	C(N[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]2H)(N[5]C[5]C)(C[5]N[5])	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO){1|H<1>,2|C<4>}	C(N[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]2H)(N[5]C[5]C)(C[5]N[5]){1|S<2>,3|C<4>,3|H<1>}	126.0890	0.000	1	126.0890	0.000	1	126.0890	0.000	1	126.0890	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-2:N[5]-3:H-1:	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,5])(N[5]C[5]C)(H)	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,5])(N[5]C[5]C)(H){1|O<1>,2|C<4>}	126.2963	0.489	4	126.2963	0.239	4	126.2963	0.239	4	125.1228	4.188	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	S[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](S[5]C[5,5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](S[5]C[5,5])(N[5]C[5]C)(O){1|O<1>,2|C<4>}	121.4160	0.000	1	121.4160	0.000	1	121.4160	0.000	1	125.1228	4.188	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	O[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](O[5]C[5,5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CNO)(H)2	C[5](O[5]C[5,5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	125.1228	4.188	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H){2|C<3>}	123.8400	0.000	1	123.8400	0.000	1	123.8400	0.000	1	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H){2|C<3>}	123.6240	0.000	1	123.6240	0.000	1	123.6240	0.000	1	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	122.7470	0.000	1	122.7470	0.000	1	122.7470	0.000	1	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6]HH){1|C<4>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	128.8935	1.860	2	128.8935	3.461	2	128.8935	3.461	2	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH){1|C<4>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H){2|C<4>}	124.3088	0.350	9	124.3088	0.123	9	124.3088	0.123	9	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)2(CC[6a]HH){1|C<4>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	127.5740	0.000	1	127.5740	0.000	1	125.7513	4.282	12	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)2(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	124.2630	0.000	1	124.2630	0.000	1	125.7513	4.282	12	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	125.7233	2.279	9	125.7233	5.194	9	125.7513	4.282	12	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Se)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Se)(C[5]N[5]H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Se<1>,1|C<3>}	125.6680	0.000	1	125.6680	0.000	1	125.7513	4.282	12	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>}	122.6150	0.076	2	123.4989	0.923	7	123.4989	0.923	7	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	124.2345	0.377	4	123.4989	0.923	7	123.4989	0.923	7	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|O<1>,2|C<4>}	122.3240	0.000	1	123.4989	0.923	7	123.4989	0.923	7	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H){2|C<4>}	123.4046	1.020	5	123.4046	1.040	5	123.4046	1.040	5	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<3>,1|O<1>}	122.1970	0.000	1	122.1455	0.005	2	122.1455	0.005	2	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|O<1>,2|H<1>}	122.0940	0.000	1	122.1455	0.005	2	122.1455	0.005	2	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){1|O<1>,2|H<1>}	122.6140	0.000	1	122.6140	0.000	1	122.5090	0.022	2	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<3>,1|S<1>}	122.4040	0.000	1	122.4040	0.000	1	122.5090	0.022	2	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Cu)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Cu)(C[5]N[5]H)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Cu<3>,1|C<3>}	125.3360	0.000	1	125.3360	0.000	1	125.7247	1.558	9	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	125.7733	1.325	8	125.7733	1.756	8	125.7247	1.558	9	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){2|C<4>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(O){1|O<1>,2|C<4>}	121.7105	0.237	4	121.7105	0.056	4	121.7105	0.056	4	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:O[5]-2:H-1:	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH)	C(N[5]C[5]2)(CSS)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH){1|H<1>}	C(N[5]C[5]2)(CSS)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(H){2|H<1>}	127.3790	1.027	2	127.3790	1.054	2	127.3790	1.054	2	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CCC)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCC)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|O<1>,2|H<1>}	120.8615	0.274	2	120.8615	0.075	2	120.8542	0.748	5	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CCO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<3>,1|O<1>}	120.6900	0.000	1	120.6900	0.000	1	120.8542	0.748	5	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<3>,1|O<1>}	122.1290	0.000	1	120.9290	2.880	2	120.8542	0.748	5	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	119.7290	0.000	1	120.9290	2.880	2	120.8542	0.748	5	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pt)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pt)(C[5]N[5]H)(CN[5]HH){1|C<4>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pt<4>,1|C<4>}	127.1470	0.000	1	127.1470	0.000	1	127.1470	0.000	1	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH){1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(H){2|H<1>}	130.1670	0.000	1	130.1670	0.000	1	130.1670	0.000	1	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-2:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](N[5]N[5]C)(C[5]C[5])(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH){1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](N[5]N[5]C)(C[5]C[5])(H){1|Pd<4>,1|H<1>}	129.6460	0.000	1	129.6460	0.000	1	129.6460	0.000	1	124.4764	5.706	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:N-2:	N[5](C[5]N[5]N)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(NC)	N[5](C[5]N[5]N)2(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(NC){1|C<3>,1|N<3>}	127.1250	0.000	1	127.1250	0.000	1	127.1250	0.000	1	122.1898	9.166	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6])	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6]){1|C<4>,1|H<1>}	122.5810	0.000	1	122.5810	0.000	1	121.0990	2.986	3	122.1898	9.166	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<4>,1|H<1>}	119.2010	0.000	1	119.2010	0.000	1	121.0990	2.986	3	122.1898	9.166	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]O)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6])	N[5](C[5]C[5]O)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6]){1|O<1>,2|H<1>}	121.5150	0.000	1	121.5150	0.000	1	121.0990	2.986	3	122.1898	9.166	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NN)	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NN){1|O<1>,2|H<1>}	120.5270	0.000	1	120.5270	0.000	1	120.5270	0.000	1	122.1898	9.166	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:3:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	C[5](N[5]C[5,6]C)(N[5]N[5,6])(NHH)	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	C[5](N[5]C[5,6]C)(N[5]N[5,6])(NHH){1|C<4>,1|N<3>}	128.3420	0.000	1	128.3420	0.000	1	128.3420	0.000	1	127.5403	26.192	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NHN)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NHN){1|C<3>,1|H<1>}	122.0690	0.000	1	122.0690	0.000	1	122.0690	0.000	1	127.5403	26.192	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(NHH)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(NHH){1|C<3>,1|N<3>}	132.2100	0.000	1	132.2100	0.000	1	132.2100	0.000	1	127.5403	26.192	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:C-4:	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH){1|C<4>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCHO){2|C<4>}	124.6880	0.000	1	124.6880	0.000	1	124.6880	0.000	1	127.4299	2.380	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CClHH)	N[5](C[5]N[5]C)2(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CClHH){1|C<4>,1|H<1>}	127.1055	1.401	2	127.1055	1.962	2	127.1055	1.962	2	127.4299	2.380	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CH3)	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CH3){1|C<3>,1|O<1>}	128.4380	1.381	3	128.4380	1.907	3	128.1080	1.168	5	127.4299	2.380	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|H<1>,1|S<1>}	127.6130	0.202	2	127.6130	0.041	2	128.1080	1.168	5	127.4299	2.380	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCH)(H)2	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C(N[5]C[5,5a]C[5])(CCH)(H)2	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,5a]H)(N[5]C[5,5a]C)(H)	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,5a]H)(N[5]C[5,5a]C)(H){1|B<4>,1|C<3>}	124.5610	0.143	2	124.5610	0.020	2	124.5610	0.020	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|B<4>,1|C<4>}	125.0890	0.000	1	125.0890	0.000	1	124.6210	0.162	5	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<4>,1|P<2>}	124.5040	0.354	4	124.5040	0.125	4	124.6210	0.162	5	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]Cd)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH){1|Cd<4>,2|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]Cd)(N[5]C[5,6]C)(H){1|C<3>,1|N<2>}	126.2260	1.302	4	127.2302	2.194	8	127.2302	2.194	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]Cd)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH){1|Cd<6>,2|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]Cd)(N[5]C[5,6]C)(H){1|C<3>,1|N<2>}	128.2345	0.857	4	127.2302	2.194	8	127.2302	2.194	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	124.2540	0.598	3	124.2540	0.358	3	124.2540	0.358	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.5840	0.086	2	125.5840	0.007	2	125.5840	0.007	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	126.7820	1.093	6	126.7820	1.196	6	126.0242	1.738	13	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){2|C<3>}	124.7785	1.548	2	124.7785	2.396	2	126.0242	1.738	13	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.1428	0.471	4	125.1428	0.222	4	126.0242	1.738	13	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){2|C<3>}	127.4950	0.000	1	127.4950	0.000	1	126.0242	1.738	13	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	124.3065	0.846	2	124.3065	0.716	2	123.4547	0.735	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O){4|C<3>}	123.4550	0.000	1	123.4550	0.000	1	123.4547	0.735	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	122.7997	1.051	3	122.7997	1.104	3	123.4547	0.735	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	123.6434	0.667	5	123.6434	0.445	5	123.4547	0.735	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	122.7730	0.000	1	122.7730	0.000	1	123.4547	0.735	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	126.0256	0.601	5	126.0256	0.362	5	125.7294	0.289	20	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	126.6120	0.000	1	126.6120	0.000	1	125.7294	0.289	20	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.3660	0.000	1	125.3660	0.000	1	125.7294	0.289	20	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	124.7430	0.000	1	124.7430	0.000	1	125.7294	0.289	20	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.6566	0.403	11	125.6566	0.162	11	125.7294	0.289	20	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){2|C<3>}	125.5160	0.000	1	125.5160	0.000	1	125.7294	0.289	20	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CCC)(H)2	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCC)(H)2	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	124.2030	0.713	2	124.2030	0.508	2	124.2030	0.508	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<3>}	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	123.2810	0.000	1	123.4303	0.499	4	123.4303	0.499	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	123.4800	0.857	3	123.4303	0.499	4	123.4303	0.499	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H){2|C<3>}	121.4840	0.530	2	121.4840	0.281	2	121.4840	0.281	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	124.0110	0.657	20	124.0110	0.432	20	123.9449	1.553	53	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|S<2>}	123.4650	0.000	1	123.4650	0.000	1	123.9449	1.553	53	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	123.6464	0.743	5	123.6464	0.552	5	123.9449	1.553	53	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	122.5180	0.000	1	122.5180	0.000	1	123.9449	1.553	53	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	124.0248	1.642	26	124.0248	2.695	26	123.9449	1.553	53	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a,6a]2)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a,6a]2)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	127.1500	0.000	1	127.1500	0.000	1	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Ag<2>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Ag)(N[5]C[5,6a]C)(H){2|C<3>}	127.8520	0.000	1	127.8520	0.000	1	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	125.8316	0.783	12	125.8316	0.613	12	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.6821	1.002	58	125.5570	1.261	62	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	125.5050	0.000	1	125.5570	1.261	62	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	123.2600	1.209	2	125.5570	1.261	62	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cl<1>,1|C<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	122.9450	0.000	1	125.5570	1.261	62	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C[5])(N[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	125.0340	0.000	1	125.0340	0.000	1	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	124.4390	0.219	2	124.4390	0.048	2	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(H){2|C<3>}	127.0752	0.493	4	127.0752	0.243	4	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Co<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	125.5515	0.021	2	125.5515	0.000	2	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(H){2|C<3>}	126.1380	1.126	5	126.1380	1.268	5	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(H){2|C<3>}	127.7185	0.050	2	127.7185	0.003	2	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){2|C<3>}	128.2095	2.132	29	128.2095	4.543	29	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){2|C<3>}	125.7088	0.784	6	125.7088	0.614	6	126.3093	3.046	127	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH)	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:P-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP)	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.3422	0.215	4	125.3422	0.046	4	125.3422	0.046	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5]HH)	C(C[5]C[5]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	C(C[5]C[5]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9125	1.129	2	123.9125	1.275	2	123.8312	0.853	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7500	1.121	2	123.7500	1.258	2	123.8312	0.853	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.7470	0.000	1	125.7932	0.406	5	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.5547	0.403	4	125.7932	0.406	5	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	124.1980	0.000	1	124.4565	0.134	2	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	124.7150	0.000	1	124.4565	0.134	2	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	127.3947	0.934	6	126.7429	1.308	10	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	125.2655	0.161	2	126.7429	1.308	10	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	126.2650	0.105	2	126.7429	1.308	10	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	125.1085	0.356	2	125.1085	0.127	2	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	120.6780	0.000	1	125.5507	5.522	7	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	126.3628	1.042	6	125.5507	5.522	7	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	126.4260	0.000	1	125.5100	0.661	3	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]N[5]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	125.0520	0.253	2	125.5100	0.661	3	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	124.8108	0.705	5	124.7623	2.913	11	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	124.2470	0.000	1	124.7623	2.913	11	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	120.8900	0.000	1	124.7623	2.913	11	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	125.7985	1.589	4	124.7623	2.913	11	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	124.7645	0.803	2	124.7645	0.644	2	125.5434	2.519	42	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.9270	0.786	4	124.9270	0.617	4	124.5139	0.921	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.1360	0.000	1	125.1360	0.000	1	124.5139	0.921	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	123.3765	0.122	2	123.3765	0.015	2	124.5139	0.921	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8792	1.225	4	123.8792	1.500	4	123.8060	0.817	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9975	0.911	2	123.9975	0.831	2	123.8060	0.817	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.4680	0.260	2	123.4680	0.068	2	123.8060	0.817	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH){1|C<3>,1|O<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(H){1|O<1>,3|C<3>}	124.1060	0.000	1	124.1060	0.000	1	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	124.8485	0.252	2	126.0632	1.255	5	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Co<6>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	126.7310	0.000	1	126.0632	1.255	5	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Mn<6>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	127.0120	0.000	1	126.0632	1.255	5	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Ni<6>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|H<1>}	126.8760	0.000	1	126.0632	1.255	5	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.6880	0.000	1	126.1568	0.102	5	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.2150	0.171	2	126.1568	0.102	5	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Cd<6>,1|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	126.5440	0.000	1	126.1568	0.102	5	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Zn<4>,1|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	126.1220	0.000	1	126.1568	0.102	5	125.9278	0.910	11	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	126.3765	0.063	2	126.3765	0.004	2	126.0226	0.332	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Co<6>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.2960	0.000	1	126.2960	0.000	1	126.0226	0.332	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Mn<6>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H){2|H<1>}	126.3100	0.000	1	126.3100	0.000	1	126.0226	0.332	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Ni<6>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H){2|H<1>}	126.3800	0.000	1	126.3800	0.000	1	126.0226	0.332	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.1270	0.110	2	125.1270	0.012	2	126.0226	0.332	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Cd<6>,1|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H){2|H<1>}	126.8010	0.000	1	126.8010	0.000	1	126.0226	0.332	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Zn<4>,1|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	125.8540	0.000	1	125.8540	0.000	1	126.0226	0.332	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.5780	0.000	1	125.5780	0.000	1	126.0226	0.332	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,5]-3:N[5]-3:H-1:	N[5](C[5]N[5,5]Ni)(C[5]C[5,5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)	N[5](C[5]N[5,5]Ni)(C[5]C[5,5]H)(CC[6]HH){2|C<4>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H){1|Ni<4>,2|C<4>,2|H<1>}	127.4780	0.593	2	127.4780	0.351	2	127.4780	0.351	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	122.1040	0.000	1	122.1040	0.000	1	123.6515	0.788	6	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9243	0.451	3	123.9243	0.203	3	123.6515	0.788	6	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0160	0.808	2	124.0160	0.652	2	123.6515	0.788	6	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH){1|Cl<1>,1|C<4>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	126.7190	0.000	1	126.7190	0.000	1	126.7190	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.2910	0.000	1	124.2910	0.000	1	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.1435	0.497	2	125.1435	0.247	2	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.9160	0.000	1	125.7860	0.034	2	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|Pd<7>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<7>,1|H<1>}	125.6560	0.000	1	125.7860	0.034	2	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	123.6955	0.100	2	123.6955	0.010	2	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	124.9933	0.423	3	125.6678	0.606	10	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	126.3490	0.000	1	125.6678	0.606	10	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	125.2140	0.000	1	125.6678	0.606	10	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	126.1540	0.000	1	125.6678	0.606	10	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	126.4120	0.584	2	125.6678	0.606	10	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	125.5785	1.166	2	125.6678	0.606	10	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	124.3570	0.000	1	124.3570	0.000	1	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<3>}	125.6770	0.000	1	127.0925	4.007	2	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	128.5080	0.000	1	127.0925	4.007	2	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<3>}	122.2310	0.000	1	122.2310	0.000	1	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	125.3474	1.732	5	125.3474	3.001	5	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	126.7025	1.286	2	126.7025	1.654	2	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.6260	0.000	1	123.8443	0.036	3	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	123.9535	0.025	2	123.8443	0.036	3	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	126.2647	1.368	23	126.4510	1.766	31	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<7>,1|C<3>}	124.7280	0.000	1	126.4510	1.766	31	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	127.3094	0.693	7	126.4510	1.766	31	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	124.1880	0.000	1	124.1880	0.000	1	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	124.0834	1.067	7	123.9689	1.848	16	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	123.8924	1.720	8	123.9689	1.848	16	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	123.7800	0.000	1	123.9689	1.848	16	125.4473	2.669	79	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.4885	0.747	2	124.4885	0.559	2	124.4799	2.607	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.6680	0.000	1	125.6680	0.000	1	124.4799	2.607	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|Pd<7>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H){2|H<1>}	126.8410	0.000	1	126.8410	0.000	1	124.4799	2.607	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){1|Ir<6>,1|H<1>}	122.6140	0.000	2	122.6140	0.000	2	124.4799	2.607	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Ir<6>,1|H<1>,2|C<3>}	125.3160	0.000	1	125.3160	0.000	1	124.4799	2.607	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){1|Os<7>,1|H<1>}	122.4980	0.000	1	122.4980	0.000	1	124.4799	2.607	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	125.7910	0.000	1	125.7910	0.000	1	124.4799	2.607	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH){1|C<3>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O){1|S<2>,3|C<3>}	122.0580	0.000	1	122.0580	0.000	1	120.1630	2.452	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH){1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	120.7670	0.000	1	120.0265	1.097	2	120.1630	2.452	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH){1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	119.2860	0.000	1	120.0265	1.097	2	120.1630	2.452	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	118.5410	0.000	1	118.5410	0.000	1	120.1630	2.452	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	N[5](C[5]N[5,6]Rh)(C[5]C[5,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)	N[5](C[5]N[5,6]Rh)(C[5]C[5,6]H)(CC[6a]HH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	122.7150	0.000	1	122.7150	0.000	1	122.7150	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH){2|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	124.4266	0.638	20	124.2657	1.271	26	124.2657	1.271	26	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH){2|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|S<2>}	123.7292	2.088	6	124.2657	1.271	26	124.2657	1.271	26	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,1|S<1>,2|C<3>}	125.1860	0.000	2	125.1860	0.000	2	124.4355	1.697	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,1|S<1>,2|C<3>}	124.8760	0.000	1	124.8760	0.000	1	124.4355	1.697	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	122.4940	0.000	1	122.4940	0.000	1	124.4355	1.697	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,3|C<3>}	120.6058	1.906	4	120.6058	3.634	4	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){3|C<3>}	121.1840	0.000	1	121.1840	0.000	1	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	122.9210	0.923	2	122.9210	0.853	2	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.1128	1.010	4	124.1128	1.020	4	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	123.2227	0.774	63	123.2227	0.599	63	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	123.2430	0.000	1	123.8920	0.520	65	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<2>,1|O<1>,2|C<3>}	123.6628	0.551	4	123.8920	0.520	65	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|N<3>}	122.1840	0.000	1	123.8920	0.520	65	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9475	0.703	59	123.8920	0.520	65	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	124.3620	0.000	1	124.3620	0.000	1	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.5212	0.516	8	123.5212	0.266	8	123.4759	0.977	148	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH){1|Cl<1>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	124.5550	1.454	2	124.5550	2.114	2	124.1808	1.323	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH){1|Cl<1>,1|C<4>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	126.3020	0.000	1	126.3020	0.000	1	124.1808	1.323	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CC[6a]HH){1|Cl<1>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	123.7337	1.474	3	123.7337	2.173	3	124.1808	1.323	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH){1|Cl<1>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<4>,1|C<4>}	124.4010	0.396	2	123.9260	0.466	6	124.1808	1.323	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH){1|Cl<1>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	123.6885	0.706	4	123.9260	0.466	6	124.1808	1.323	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){2|Al<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(H){2|Al<4>,1|C<4>}	125.0675	0.291	2	125.0675	0.084	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	120.2960	1.943	2	120.2960	3.776	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.6140	0.677	5	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.6723	1.392	20	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cd<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<4>,1|C<4>}	124.1787	0.781	3	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Co<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	124.3853	0.475	3	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Co<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<4>}	125.7630	0.754	2	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cu<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	124.5090	0.000	1	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cu<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	125.2776	0.642	11	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<4>}	124.1860	0.000	1	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	122.8730	0.000	1	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.3535	1.436	11	124.8663	1.394	58	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Pd<4>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H){2|C<4>}	125.5950	0.000	1	125.5950	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.4650	0.000	1	125.4650	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.9450	0.000	1	126.1163	1.067	7	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.9782	1.058	6	126.1163	1.067	7	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.4380	0.936	4	126.4380	0.877	4	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Tc<6>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Tc<6>,1|H<1>}	126.0980	0.000	1	126.0980	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Ag<2>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ag<2>,1|H<1>}	127.0680	0.808	2	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.1345	1.526	93	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.8653	1.120	156	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Co<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	126.2543	0.581	6	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Co<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	126.8630	0.379	5	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Cu<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|H<1>}	125.7608	1.001	18	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	126.1335	1.201	4	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Hg<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Hg<4>,1|H<1>}	125.3210	0.542	2	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Mn<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	126.6673	0.181	3	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Mo<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|H<1>}	126.5210	0.000	1	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|H<1>}	126.3750	0.853	2	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	127.2810	0.000	1	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Ru<9>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	125.5585	0.067	2	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Zn<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	125.5237	1.922	9	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	126.1633	0.924	35	125.9984	1.516	339	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.5180	0.000	1	125.5180	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.5813	1.318	7	125.7428	0.964	24	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.8092	0.848	17	125.7428	0.964	24	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|I<1>}	125.9468	0.349	4	125.9468	0.122	4	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|I<1>}	123.1223	2.221	4	123.1223	4.931	4	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>}	126.8370	0.000	1	126.8370	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<2>}	126.8780	0.000	1	126.8780	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.4825	1.232	8	125.5017	1.666	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	125.5119	1.364	15	125.5017	1.666	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]W)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]W)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|W<6>}	124.0260	0.000	1	124.0260	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	127.9868	0.462	4	124.2977	7.396	16	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Fe<10>,1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	122.1450	0.500	4	124.2977	7.396	16	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Ir<6>,1|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	122.9727	2.204	6	124.2977	7.396	16	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Rh<4>,1|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	125.2005	0.347	2	124.2977	7.396	16	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	123.6395	0.122	2	123.6395	0.015	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	123.5385	1.918	2	123.5385	3.680	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	123.1650	0.000	1	123.1650	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	122.8650	0.000	1	122.8650	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.6873	1.087	6	124.6066	0.807	9	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	124.6840	0.000	1	124.6066	0.807	9	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<2>}	124.3255	0.589	2	124.6066	0.807	9	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<3>,1|C<4>}	123.4525	0.266	4	123.4383	0.087	6	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	123.4100	0.468	2	123.4383	0.087	6	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<3>,1|C<3>}	121.8875	0.243	2	121.8875	0.059	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	121.7000	0.000	1	121.7000	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	124.0210	0.718	5	124.0373	0.415	6	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	124.1190	0.000	1	124.0373	0.415	6	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	124.3330	0.000	1	124.3330	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Er)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Er)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Er<10>,1|C<3>}	123.7275	0.319	4	123.7275	0.102	4	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	123.4567	0.552	3	122.5892	3.000	11	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	123.7442	1.025	4	122.5892	3.000	11	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	119.6865	0.889	2	122.5892	3.000	11	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	121.8805	0.018	2	122.5892	3.000	11	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	121.6400	0.000	1	121.9733	1.016	4	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	122.0843	1.204	3	121.9733	1.016	4	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<5>,1|C<3>}	125.5125	0.077	2	124.6540	1.955	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	122.7980	2.852	2	124.6540	1.955	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	124.4830	0.000	1	124.6540	1.955	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<4>}	124.1450	0.112	2	124.6540	1.955	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	125.1371	0.542	7	124.6540	1.955	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	124.4626	1.711	8	124.6540	1.955	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	125.9880	0.000	1	124.6540	1.955	23	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	123.1560	0.000	1	123.7997	0.420	6	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	123.9284	0.633	5	123.7997	0.420	6	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Lu)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Lu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Lu<6>,1|C<3>}	123.7235	0.979	2	123.7235	0.959	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mg<4>,1|C<4>}	124.3785	0.203	2	124.3785	0.041	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<3>}	123.5910	0.000	1	122.0751	0.660	14	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	121.8938	0.447	5	122.0751	0.660	14	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<8>,1|C<4>}	122.9910	0.266	2	122.0751	0.660	14	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	121.6683	0.718	6	122.0751	0.660	14	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	124.6910	0.411	3	123.9257	1.160	19	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<3>}	122.5860	0.000	1	123.9257	1.160	19	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	123.7829	1.096	14	123.9257	1.160	19	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	124.9690	0.000	1	123.9257	1.160	19	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	128.2680	0.000	1	128.2680	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	125.4540	0.000	1	124.1562	1.287	10	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	123.9920	0.000	1	124.1562	1.287	10	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	124.1088	1.250	6	124.1562	1.287	10	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	123.7315	1.298	2	124.1562	1.287	10	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.0186	1.161	29	124.1237	1.326	104	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	124.1643	1.153	75	124.1237	1.326	104	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.0190	0.000	1	124.0190	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	124.3812	1.213	23	123.8758	3.398	26	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	120.0017	0.916	3	123.8758	3.398	26	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	123.2155	0.841	2	123.2155	0.707	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	126.9190	0.000	1	126.9190	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	123.6775	0.412	2	123.6775	0.170	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	123.7610	0.364	3	123.5500	1.101	13	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	123.9015	1.293	6	123.5500	1.101	13	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	122.8645	0.779	4	123.5500	1.101	13	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	125.6670	0.000	1	125.6670	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	122.9300	0.000	1	123.5531	4.017	34	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	123.0523	0.957	4	123.5531	4.017	34	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	125.5495	1.685	12	123.5531	4.017	34	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	121.7855	0.388	4	123.5531	4.017	34	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	122.6447	0.887	3	123.5531	4.017	34	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	122.3998	1.456	10	123.5531	4.017	34	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	122.3845	2.163	2	122.3845	4.679	2	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	124.9205	0.459	2	125.2025	0.471	8	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	125.2965	0.758	6	125.2025	0.471	8	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	124.8350	0.000	1	124.8350	0.000	1	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<5>,1|C<4>}	125.9940	1.012	12	125.9940	1.025	12	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Yb)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Yb)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Yb<10>,1|C<3>}	124.0499	0.570	8	124.0499	0.325	8	124.9936	2.860	832	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]N)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>}	122.6690	0.000	1	122.6690	0.000	1	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){4|C<3>}	118.2600	0.000	1	118.2600	0.000	1	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	125.4015	0.360	2	125.4015	0.130	2	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]O[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]O[5]C)(N[5]C[5]C)(O){1|O<1>}	124.3360	0.881	4	124.3360	0.776	4	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	121.5840	0.000	1	121.5840	0.000	1	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.0130	0.000	1	123.0130	0.000	1	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	124.7610	0.000	1	124.7610	0.000	1	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	124.7910	0.000	1	124.7910	0.000	1	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]N[6])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<4>}	124.0870	0.000	1	124.0870	0.000	1	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.6260	1.271	2	124.6260	1.616	2	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	125.1900	0.000	1	125.1900	0.000	1	123.8596	3.539	16	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5,5]-3:N[5]-3:S-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(S){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	125.4870	0.000	1	125.4870	0.000	1	125.4870	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH){3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.3710	0.000	1	123.3710	0.000	1	123.3710	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5,6a]-3:N[5]-3:S-1:	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S){2|C<3>,2|H<1>}	123.5690	0.000	2	123.5690	0.000	2	123.5080	0.011	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5,6a]-3:N[5]-3:S-1:	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S){2|C<3>,2|H<1>}	123.3860	0.000	1	123.3860	0.000	1	123.5080	0.011	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Cl-1:	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(Cl)	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(Cl){2|C<4>}	125.9020	0.518	2	125.9020	0.268	2	125.9020	0.268	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.6670	0.000	1	124.6670	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.8365	1.162	6	125.8365	1.350	6	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.3180	0.000	1	124.3180	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.2903	0.619	4	125.2903	0.383	4	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.6140	0.000	1	125.6140	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Ag)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Ag<2>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Ag)(N[5]C[5]C)(H){2|H<1>}	125.5665	0.875	2	125.5665	0.765	2	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	125.5455	0.910	35	125.5455	0.828	35	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	127.0293	1.379	7	125.6872	1.532	162	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.6262	1.205	154	125.6872	1.532	162	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	125.6930	0.000	1	125.6872	1.532	162	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){2|C<4>,3|H<1>}	124.9850	0.000	1	124.9850	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Co<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.5598	0.641	6	126.3382	0.429	11	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Co<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.0722	0.630	5	126.3382	0.429	11	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Cu<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	126.8942	0.925	18	126.9050	0.879	22	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	126.9532	1.139	4	126.9050	0.879	22	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Hg)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Hg<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Hg)(N[5]C[5]C)(H){2|H<1>}	126.8805	0.653	2	126.8805	0.426	2	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Mn<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H){2|H<1>}	126.5887	0.168	3	126.5887	0.028	3	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Mo<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H){2|H<1>}	127.2330	0.000	1	127.2330	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H){2|H<1>}	126.1110	0.174	2	126.1110	0.030	2	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H){2|H<1>}	125.5460	0.000	1	125.5460	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Ru<9>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H){2|H<1>}	126.1450	0.000	1	126.1450	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Tc)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Tc<6>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Tc)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.5400	0.000	1	126.5400	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Zn<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	127.1618	1.733	9	127.1618	3.004	9	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	124.7560	1.084	72	124.7946	1.139	87	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.9799	0.994	15	124.7946	1.139	87	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.3191	0.772	18	125.3191	0.596	18	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.2793	1.112	7	125.2793	1.237	7	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH){1|C<2>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){1|C<2>,1|N<3>}	123.6100	0.000	1	123.6100	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|C<3>}	123.7910	0.000	1	123.7910	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H){2|C<3>}	127.5813	1.081	6	127.5813	1.169	6	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(H)	N[5](C[5]N[5]H)2(CC[6a]HH){2|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(H){2|H<1>}	125.5525	1.776	2	125.5525	3.153	2	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)2(CC[6a]HH){1|C<4>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	126.6470	0.000	1	126.6470	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)2(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	128.6330	0.000	1	128.6330	0.000	1	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]N[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]N[5]H)2(CC[6a]HH){2|Fe<6>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]N[5]Fe)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	127.5238	0.734	4	127.5238	0.539	4	125.6315	1.659	394	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(I)	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(I){2|C<4>}	125.2180	0.533	4	125.2180	0.284	4	125.2822	0.574	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(I)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(I){2|H<1>}	124.8345	1.015	4	124.8345	1.031	4	125.2822	0.574	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(I)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(I){2|H<1>}	125.7940	0.408	4	125.7940	0.166	4	125.2822	0.574	12	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	123.3763	0.391	3	123.3763	0.153	3	123.7021	0.253	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	124.3083	0.146	3	124.3083	0.021	3	123.7021	0.253	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	123.7940	0.081	2	123.5969	0.204	8	123.7021	0.253	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<3>}	123.4265	0.056	2	123.5969	0.204	8	123.7021	0.253	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	123.5835	0.654	4	123.5969	0.204	8	123.7021	0.253	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	121.2220	0.000	1	121.2220	0.000	1	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,5,6]H)(N[5]C[5]C)(S)	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5,5,6]H)(N[5]C[5]C)(S){1|O<1>,2|C<4>}	126.1970	0.000	1	126.1970	0.000	1	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S){1|H<1>,4|C<4>}	123.8410	0.000	1	123.8410	0.000	1	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.4420	1.005	8	124.4420	1.011	8	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	124.4560	0.000	1	124.7385	0.160	2	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	125.0210	0.000	1	124.7385	0.160	2	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	124.4070	0.000	1	124.4070	0.000	1	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	124.0810	0.000	1	123.7985	0.160	2	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	123.5160	0.000	1	123.7985	0.160	2	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	123.2662	0.684	4	122.8930	1.047	5	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	121.4000	0.000	1	122.8930	1.047	5	123.9401	1.655	21	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(Se){2|H<1>}	124.6555	0.127	2	124.6555	0.016	2	125.2163	0.952	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5a]N[5])(N[5]C[5]C)(Se)	N[5](C[5]N[5]Se)(C[5]N[5]H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5a]N[5])(N[5]C[5]C)(Se){1|H<1>,2|C<3>}	126.3380	0.000	1	126.3380	0.000	1	125.2163	0.952	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CCO)(H)2	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CCO)(H)2	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	119.1310	0.000	1	119.1310	0.000	1	119.1310	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	118.4900	0.861	2	118.4900	0.742	2	118.4900	0.742	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9622	1.445	6	123.9622	2.088	6	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8637	0.902	14	123.8637	0.813	14	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6a]C[5,6a]S[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|S<2>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6a]C[5,6a]S[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	124.6725	0.317	2	124.6725	0.101	2	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[4]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[4]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9180	2.647	2	123.9180	7.009	2	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.2885	2.167	2	124.2885	4.697	2	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[5a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[5a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7982	0.759	4	123.7982	0.576	4	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7599	0.847	12	123.7599	0.718	12	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7950	0.684	6	123.7950	0.468	6	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.6235	1.654	2	123.6235	2.735	2	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CN[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.1660	1.097	2	123.1660	1.204	2	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	124.4830	0.000	1	123.4968	0.679	30	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.4628	0.817	29	123.4968	0.679	30	123.7218	0.911	82	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CBrC)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CBrC)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	126.8350	1.140	2	126.8350	1.299	2	126.7473	0.450	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	126.6595	0.141	2	126.6595	0.020	2	126.7473	0.450	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	124.4220	0.000	1	124.4220	0.000	1	124.3267	0.068	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	124.2790	0.349	2	124.2790	0.122	2	124.3267	0.068	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<3>}	124.3510	0.000	1	124.3510	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	123.8150	0.000	1	123.8150	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	126.1540	0.000	1	126.1540	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.2180	0.000	1	125.2180	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.5585	0.269	2	125.5585	0.073	2	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	124.6760	0.657	3	125.3049	2.993	14	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	124.7668	2.409	6	125.3049	2.993	14	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	126.2205	0.856	2	125.3049	2.993	14	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<6>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|H<1>}	126.2610	0.000	1	125.3049	2.993	14	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|H<1>}	126.4690	0.293	2	125.3049	2.993	14	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	128.7080	0.000	1	128.7080	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]N)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CC[6a]N)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	124.8260	0.000	1	124.8260	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.8940	0.000	1	126.0863	0.190	3	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	126.1825	0.569	2	126.0863	0.190	3	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	127.5965	1.210	2	127.5965	1.464	2	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	124.3575	0.729	4	125.3692	0.909	17	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.5652	0.708	12	125.3692	0.909	17	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	127.0650	0.000	1	125.3692	0.909	17	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[6]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[6]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.3500	0.000	1	126.3500	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.1170	0.000	1	126.0817	0.742	30	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.1149	0.857	29	126.0817	0.742	30	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CSS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.7865	0.677	2	126.7865	0.458	2	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	124.8760	0.000	1	124.6570	0.782	4	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	124.5840	1.068	3	124.6570	0.782	4	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH)	C(N[5]C[5]2)(CSS)(H)2	C[5](C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH){1|H<1>}	C(N[5]C[5]2)(CSS)(H)2	C[5](C[5]O[5]H)(N[5]C[5]C)(H){1|H<1>}	125.1185	0.583	2	125.1185	0.340	2	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Co<6>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	126.3525	0.753	2	126.3525	0.567	2	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CNN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CNN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<4>,1|C<3>}	124.2870	0.000	1	124.2870	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CIrC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CIrC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	129.1510	0.000	1	129.1510	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<3>}	121.6540	0.000	1	121.6540	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	123.4705	0.470	4	123.4705	0.221	4	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	125.1579	1.249	10	125.1579	1.560	10	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COsO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COsO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<4>}	128.8660	0.000	1	128.8660	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	122.4565	1.062	12	122.6262	0.896	17	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	123.0336	0.434	5	122.6262	0.896	17	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	127.0820	0.000	1	127.0820	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.3110	0.000	1	125.5857	1.745	22	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	125.6464	1.322	21	125.5857	1.745	22	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	124.8040	0.136	2	124.8040	0.018	2	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	123.0570	0.000	1	123.0570	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	123.9890	0.000	1	123.9890	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	124.7690	0.000	1	124.7690	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	123.1150	0.000	1	123.1150	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	123.5805	1.899	2	123.5805	3.605	2	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	125.2800	0.000	1	125.2800	0.000	1	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	126.0210	0.000	1	125.4502	0.646	4	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	125.2600	0.867	3	125.4502	0.646	4	125.1919	2.622	156	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>}	121.9853	1.127	3	121.9853	1.271	3	122.7860	3.499	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CCO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	121.2180	0.000	1	121.2180	0.000	1	122.7860	3.499	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	120.2980	0.000	1	120.2980	0.000	1	122.7860	3.499	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CN[5]O)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	C(N[5]C[5]2)(CN[5]O)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	123.9880	0.884	2	123.9880	0.781	2	122.7860	3.499	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	123.5910	0.000	1	123.5910	0.000	1	122.7860	3.499	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	126.0350	0.000	1	126.0350	0.000	1	122.7860	3.499	9	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CBrC)(H)2	C[5](N[5]C[5]C)2(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CBrC)(H)2	C[5](N[5]C[5]C)2(Br){2|Br<1>}	125.6200	0.153	2	125.6200	0.023	2	125.6415	0.028	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(Br){2|Br<1>}	125.6630	0.240	2	125.6630	0.058	2	125.6415	0.028	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|C<4>}	122.6560	0.000	1	122.6560	0.000	1	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(H){2|C<3>}	122.5965	0.042	2	122.5965	0.002	2	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCC)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCC)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.6805	0.643	2	125.6805	0.413	2	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	127.2392	3.061	6	127.2392	9.371	6	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mn<6>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H){2|H<1>}	127.1975	0.306	2	127.1975	0.094	2	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<6>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H){2|H<1>}	126.4760	0.000	1	126.4760	0.000	1	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H){2|H<1>}	126.4665	0.779	2	126.4665	0.606	2	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	125.6005	0.117	2	126.0947	0.739	3	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	127.0830	0.000	1	126.0947	0.739	3	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	122.6500	0.000	1	122.6500	0.000	1	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]N)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CC[6a]N)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	127.1480	0.000	1	127.1480	0.000	1	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	124.8845	0.279	2	124.8845	0.078	2	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.2690	0.000	1	124.2690	0.000	1	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	123.0030	0.226	2	123.0030	0.051	2	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.3387	0.663	12	125.3387	0.440	12	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H){2|H<1>}	125.1770	0.000	1	125.1770	0.000	1	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|H<1>,2|N<2>}	126.3893	0.661	4	126.3893	0.437	4	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[6]O)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[6]O)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	126.3410	0.000	1	126.3410	0.000	1	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.4238	0.834	29	125.4238	0.696	29	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	125.4280	0.000	1	125.4280	0.000	1	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CSS)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CSS)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.6795	0.531	2	124.6795	0.282	2	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	122.2995	0.916	4	122.2995	0.839	4	125.3374	2.545	80	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	121.3650	0.421	3	121.3650	0.177	3	122.4609	1.294	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCC)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCC)(H)2	C[5](N[5]C[5]C)2(O){1|O<1>,2|H<1>}	122.5240	0.000	1	122.5240	0.000	1	122.4609	1.294	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<3>}	123.5685	0.576	2	123.5685	0.332	2	122.4609	1.294	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<3>}	123.4700	0.000	1	123.4700	0.000	1	122.4609	1.294	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	121.1370	0.000	1	121.1370	0.000	1	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.5730	0.000	1	124.5730	0.000	1	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>,1|O<1>}	125.3380	0.000	1	125.4820	0.041	2	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){3|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|H<1>}	125.6260	0.000	1	125.4820	0.041	2	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	122.7080	0.000	1	122.7080	0.000	1	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	122.4128	0.487	5	122.5693	0.337	6	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	123.3520	0.000	1	122.5693	0.337	6	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<3>}	122.1760	0.000	1	122.1760	0.000	1	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	123.9765	0.407	2	123.9765	0.165	2	123.2091	1.794	14	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(Se){2|C<3>,2|H<1>}	123.5550	0.000	1	123.5550	0.000	1	123.5550	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CHHN)	C(N[5]C[5]2)(NC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHN){2|C<3>}	C(N[5]C[5]2)(NC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.2670	1.810	2	124.2670	3.277	2	124.2670	3.277	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[5]HH){2|C<3>}	C(N[5]C[5]2)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0198	0.837	10	124.0198	0.700	10	124.0198	0.700	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CN[5]HH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	124.8662	2.356	4	124.8662	5.549	4	125.7615	2.755	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5]HH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	126.3583	0.749	6	126.3583	0.561	6	125.7615	2.755	10	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.9262	2.147	5	124.9262	4.611	5	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.3033	0.788	9	126.1159	0.757	41	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.9690	0.895	27	126.1159	0.757	41	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|Co<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	126.8495	0.631	2	126.1159	0.757	41	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	126.3863	0.976	3	126.1159	0.757	41	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<2>}	122.2100	0.000	1	124.2780	8.553	2	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<3>}	126.3460	0.000	1	124.2780	8.553	2	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.0173	0.577	3	124.5921	0.480	34	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	124.5353	0.704	30	124.5921	0.480	34	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	125.0220	0.000	1	124.5921	0.480	34	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]U)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]U)(CN[5]HH){1|B<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|U<8>}	124.0871	0.373	8	124.0871	0.139	8	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	124.6906	1.290	8	124.7836	1.334	10	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	125.2060	0.000	1	124.7836	1.334	10	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	125.1050	0.000	1	124.7836	1.334	10	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	124.8660	0.133	2	123.8085	3.727	79	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	122.7517	2.724	6	123.8085	3.727	79	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	124.4479	1.905	7	123.8085	3.727	79	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<9>,1|C<3>}	125.4575	0.012	2	123.8085	3.727	79	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	124.9500	1.039	8	123.8085	3.727	79	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	124.3654	2.154	20	123.8085	3.727	79	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	123.1080	1.609	34	123.8085	3.727	79	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	126.6315	0.556	2	126.6315	0.310	2	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	123.2210	0.000	1	124.1432	1.211	24	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	124.4210	1.047	2	124.1432	1.211	24	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	123.8379	1.004	17	124.1432	1.211	24	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	125.5325	0.317	4	124.1432	1.211	24	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	126.0600	0.000	1	126.0600	0.000	1	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<5>,1|C<3>}	127.6405	0.189	2	127.6405	0.036	2	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	125.5586	1.340	14	125.9153	2.507	16	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	128.4120	0.078	2	125.9153	2.507	16	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	122.1230	0.858	2	122.1230	0.737	2	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	126.1005	1.361	20	126.2740	1.817	77	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	126.1630	1.003	4	126.2740	1.817	77	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	126.3479	1.379	53	126.2740	1.817	77	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	123.7370	0.000	1	123.7370	0.000	1	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	123.9922	2.690	4	125.8440	3.236	25	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	126.6439	1.132	17	125.8440	3.236	25	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	124.2960	0.656	4	125.8440	3.236	25	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	125.5140	0.324	2	125.5140	0.105	2	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<5>,1|C<3>}	125.5860	0.413	2	125.0262	1.751	22	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	125.1170	0.068	2	125.0262	1.751	22	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	127.1480	0.008	2	125.0262	1.751	22	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	125.1444	1.305	8	125.0262	1.751	22	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	124.2150	1.175	8	125.0262	1.751	22	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	125.5660	0.000	1	125.7920	0.102	2	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	126.0180	0.000	1	125.7920	0.102	2	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	124.1801	2.963	12	125.1581	6.167	22	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	126.0580	0.612	2	125.1581	6.167	22	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	126.4001	1.010	8	125.1581	6.167	22	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	126.5560	1.080	2	126.3067	0.770	3	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	125.8080	0.000	1	126.3067	0.770	3	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	124.7314	0.556	8	124.7950	0.374	10	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<3>,1|C<4>}	125.0495	1.019	2	124.7950	0.374	10	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Tc<6>,1|C<4>}	125.8612	0.085	4	125.8612	0.007	4	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Th)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Th)(C[5]C[5]H)(CN[5]HH){1|B<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Th<8>,1|B<4>}	124.4651	0.504	8	124.4651	0.254	8	125.1245	3.064	402	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH){1|B<4>,1|C<4>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|C<4>}	125.7105	2.539	2	125.7105	6.448	2	125.1514	1.211	44	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.1650	1.047	27	125.1650	1.095	27	125.1514	1.211	44	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|Co<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.2390	0.585	2	126.2390	0.343	2	125.1514	1.211	44	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	125.9920	1.237	3	125.9920	1.531	3	125.1514	1.211	44	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){1|C<3>,1|O<2>,2|H<1>}	123.8640	0.000	1	123.8640	0.000	1	125.1514	1.211	44	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.5181	0.732	8	124.5181	0.536	8	125.1514	1.211	44	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	125.3240	0.000	1	125.3240	0.000	1	125.1514	1.211	44	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.3610	0.599	3	124.3610	0.359	3	124.3610	0.359	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]O)2(CN[6]HH)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CN[6]HH){2|C<3>}	C(N[5]C[5]2)(N[6]C[6]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	122.9280	0.133	2	122.9280	0.018	2	122.9280	0.018	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CN[6]HH)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[6]HH){2|C<3>}	C(N[5]C[5]2)(N[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.2605	0.545	4	123.2605	0.297	4	123.2605	0.297	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C(N[5]C[5]2)(SC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	C(N[5]C[5]2)(SC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.2390	0.000	1	124.1080	1.510	2	124.7390	1.034	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C(N[5]C[5]2)(SC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	C(N[5]C[5]2)(SC[6a]O)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	124.9770	0.000	1	124.1080	1.510	2	124.7390	1.034	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C(N[5]C[5]2)(SPdC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	C(N[5]C[5]2)(SPdC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	125.3700	0.000	2	125.3700	0.000	2	124.7390	1.034	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9935	1.746	2	123.9935	3.048	2	123.9431	0.533	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8595	0.418	2	123.8595	0.175	2	123.9431	0.533	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8765	0.138	2	123.8765	0.019	2	123.9431	0.533	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0430	0.663	2	124.0430	0.440	2	123.9431	0.533	8	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	125.8480	0.000	1	125.1057	6.258	3	125.1057	6.258	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	124.7345	3.419	2	125.1057	6.258	3	125.1057	6.258	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Co<4>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	125.5745	0.248	2	125.4790	0.034	4	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<4>}	125.3835	0.071	2	125.4790	0.034	4	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	124.3380	0.000	1	124.3380	0.000	1	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Hg<4>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Hg<4>,1|H<1>}	126.5880	0.492	2	126.6550	0.249	5	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Mn<6>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	127.3330	0.000	1	126.6550	0.249	5	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Zn<4>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	126.3830	0.368	2	126.6550	0.249	5	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.1490	0.000	1	127.1490	0.000	1	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.5240	0.000	1	125.5240	0.000	1	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	123.3490	0.156	2	123.3490	0.024	2	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	123.4660	0.000	1	123.4660	0.000	1	125.4911	1.804	15	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	126.2610	0.000	1	126.2610	0.000	1	126.1029	0.693	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Hg)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Hg<4>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Hg)(N[5]C[5]C)(H){2|H<1>}	126.6990	0.025	2	126.6990	0.001	2	126.1029	0.693	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Mn<6>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H){2|H<1>}	125.8580	0.000	1	125.8580	0.000	1	126.1029	0.693	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Zn<4>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	126.4225	0.336	2	126.4225	0.113	2	126.1029	0.693	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.3580	0.000	1	124.3580	0.000	1	126.1029	0.693	7	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.1450	0.000	1	124.1450	0.000	1	124.1450	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CN[6a]HH)	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[6a]HH){2|C<3>}	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8120	0.470	2	123.8120	0.220	2	123.8120	0.220	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]2)(N[5]C[5]N[5])(H)2	C[5](N[5]C[5]Cd)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH){1|Cd<6>,1|H<1>}	C(C[6a]C[6a,6a]2)(N[5]C[5]N[5])(H)2	C[5](N[5]C[5]Cd)(N[5]N[5]C)(H){2|H<1>}	126.7820	0.000	1	126.7820	0.000	1	126.7820	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]V)(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]Cl)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]V)(CCHH){1|Cl<1>,1|C<3>}	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]Cl)(N[5]N[5]C)(H){1|C<3>,1|V<6>}	127.1810	0.000	1	127.1810	0.000	1	127.1810	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<4>,1|H<1>}	129.5350	0.000	1	127.7413	4.848	3	127.3952	5.182	5	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	125.2840	0.000	1	127.7413	4.848	3	127.3952	5.182	5	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	128.4050	0.000	1	127.7413	4.848	3	127.3952	5.182	5	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	129.1270	0.000	1	126.8760	10.134	2	127.3952	5.182	5	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	124.6250	0.000	1	126.8760	10.134	2	127.3952	5.182	5	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<4>,1|C<3>}	129.1490	0.000	1	129.1490	0.000	1	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|C<3>}	129.8060	0.000	1	129.8060	0.000	1	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	131.0100	0.000	1	128.0163	7.552	3	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH){2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	126.5195	1.289	2	128.0163	7.552	3	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<4>,1|C<4>}	127.6650	0.000	1	127.6650	0.000	1	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|C<4>}	129.2460	0.000	1	129.2460	0.000	1	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<5>,1|C<3>}	130.0110	0.000	1	129.8270	0.068	2	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH){2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>}	129.6430	0.000	1	129.8270	0.068	2	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ir<6>,2|C<3>}	128.0910	0.000	1	128.0910	0.000	1	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	131.5375	0.101	2	131.5375	0.010	2	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	131.6355	0.241	2	131.6355	0.058	2	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Re<6>,2|C<3>}	129.1925	0.293	2	129.1925	0.086	2	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	129.7288	0.693	5	129.7288	0.480	5	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]Si)(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|Si<4>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]N[5]Si)(N[5]N[5]C)(H){1|Re<6>}	126.4980	0.000	1	126.4980	0.000	1	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<6>,2|C<3>}	129.5738	1.019	4	129.7042	0.864	5	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	130.2260	0.000	1	129.7042	0.864	5	129.4835	2.317	27	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|Co<6>,1|H<1>}	125.9170	0.000	1	125.9170	0.000	1	125.9170	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|C<3>}	127.0000	0.000	1	127.0000	0.000	1	127.0320	0.320	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|C<3>}	126.4830	0.000	1	126.4830	0.000	1	127.0320	0.320	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|C<3>}	127.6130	0.000	1	127.6130	0.000	1	127.0320	0.320	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<5>,1|C<3>}	126.7190	0.000	1	126.7190	0.000	1	127.4143	0.761	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(COO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|C<3>}	128.3930	0.000	1	128.3930	0.000	1	127.4143	0.761	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CSS)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CSS)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|C<3>,1|H<1>}	127.1310	0.000	1	127.1310	0.000	1	127.4143	0.761	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[5]HH)	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<3>}	126.5300	0.171	2	126.5300	0.029	2	126.5300	0.029	2	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ag<4>,1|C<3>}	128.3624	0.584	7	128.3624	0.341	7	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cd)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cd<7>,1|C<3>}	127.4530	0.000	1	127.4530	0.000	1	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|C<3>}	128.6963	2.387	9	128.2993	4.862	12	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<6>,1|C<3>}	128.3230	0.000	1	128.2993	4.862	12	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	126.5005	0.029	2	128.2993	4.862	12	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<3>}	125.7510	0.092	2	126.0113	0.208	3	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	126.5320	0.000	1	126.0113	0.208	3	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|C<3>}	126.3110	0.231	3	127.1506	1.695	5	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	128.4100	1.178	2	127.1506	1.695	5	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	126.2770	0.000	1	126.2770	0.000	1	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|C<3>}	126.2240	0.000	1	126.2240	0.000	1	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<6>,1|H<1>}	128.0172	0.525	6	128.0172	0.276	6	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	126.7537	0.405	3	126.7537	0.164	3	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|C<3>}	126.7273	0.519	6	126.7273	0.269	6	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|C<3>}	127.9710	1.426	2	127.9710	2.032	2	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|Cu<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){2|Cu<4>,2|C<3>}	127.8280	0.345	2	127.8280	0.119	2	127.5958	2.047	49	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](N[5]C[5,6a]Pd)(C[5]C[5,6a]H)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5](N[5]C[5,6a]Pd)(C[5]C[5,6a]H)(CN[5]HH){2|C<3>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|Pd<4>,1|H<1>,2|C<3>}	128.7117	0.498	4	128.7117	0.248	4	128.7117	0.248	4	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	129.1560	0.000	1	129.1560	0.000	1	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	128.7490	1.025	2	128.7490	1.051	2	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	129.7610	0.000	1	129.7610	0.000	1	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|H<1>}	131.2375	1.569	2	131.2375	2.462	2	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	126.9103	1.085	3	126.9103	1.177	3	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	129.7370	0.000	1	129.7370	0.000	1	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<8>,1|H<1>}	129.3410	0.382	2	129.3410	0.146	2	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	127.7035	0.313	2	128.0027	0.318	3	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	128.6010	0.000	1	128.0027	0.318	3	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	129.3858	0.393	4	129.3858	0.154	4	128.9258	1.956	19	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHS)	C(N[5]C[5]N[5])(SC[6a]Rh)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHS){1|C<3>}	C(N[5]C[5]N[5])(SC[6a]Rh)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Rh<8>,2|C<3>}	129.6975	0.562	2	129.6975	0.316	2	130.0107	0.452	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHS)	C(N[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHS){1|C<3>}	C(N[5]C[5]N[5])(SC[6a]Ru)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	130.6370	0.000	1	130.6370	0.000	1	130.0107	0.452	3	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CSeHH)	C(N[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CSeHH){1|C<3>}	C(N[5]C[5]N[5])(SeC[6a]Ru)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	128.2960	0.000	1	128.2960	0.000	1	128.2960	0.000	1	125.1300	3.269	2933	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(NN){2|C<3>}	126.7915	2.191	4	126.7915	4.801	4	126.7915	4.801	4	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(SIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(SIr){2|C<3>}	124.1010	0.181	2	124.1010	0.033	2	124.9801	1.849	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(SRu){2|C<3>}	123.7820	0.368	2	123.7820	0.135	2	124.9801	1.849	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(SC){2|C<3>}	126.0187	1.161	4	126.0187	1.348	4	124.9801	1.849	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(SeIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(SeIr){2|C<3>}	124.4920	1.622	2	124.4920	2.631	2	125.3377	2.108	4	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(SeRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(SeRu){2|C<3>}	126.1835	0.911	2	126.1835	0.831	2	125.3377	2.108	4	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	C[5](N[5]C[5,6a]C)2(SIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	C[5](N[5]C[5,6a]C)2(SIr){2|C<3>}	123.2180	0.000	1	123.2180	0.000	1	123.2900	0.010	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	C[5](N[5]C[5,6a]C)2(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	C[5](N[5]C[5,6a]C)2(SRu){2|C<3>}	123.3620	0.000	1	123.3620	0.000	1	123.2900	0.010	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	C[5](N[5]C[5,6a]C)2(SeIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	C[5](N[5]C[5,6a]C)2(SeIr){2|C<3>}	123.1680	0.000	1	123.1680	0.000	1	123.1535	0.000	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	C[5](N[5]C[5,6a]C)2(SeRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	C[5](N[5]C[5,6a]C)2(SeRu){2|C<3>}	123.1390	0.000	1	123.1390	0.000	1	123.1535	0.000	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	C[5](N[5]C[5,6a]C)2(SIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	C[5](N[5]C[5,6a]C)2(SIr){2|C<3>}	122.6060	0.000	1	122.6060	0.000	1	122.7785	0.060	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	C[5](N[5]C[5,6a]C)2(SRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	C[5](N[5]C[5,6a]C)2(SRu){2|C<3>}	122.9510	0.000	1	122.9510	0.000	1	122.7785	0.060	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	C[5](N[5]C[5,6a]C)2(SeIr)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	C[5](N[5]C[5,6a]C)2(SeIr){2|C<3>}	123.2430	0.000	1	123.2430	0.000	1	123.6610	0.349	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	C[5](N[5]C[5,6a]C)2(SeRu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	C[5](N[5]C[5,6a]C)2(SeRu){2|C<3>}	124.0790	0.000	1	124.0790	0.000	1	123.6610	0.349	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:N-2:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	125.6010	0.000	1	125.6010	0.000	1	124.7980	1.290	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:N-2:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	123.9950	0.000	1	123.9950	0.000	1	124.7980	1.290	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	128.1775	0.023	2	128.1775	0.001	2	128.3693	0.111	3	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	128.7530	0.000	1	128.7530	0.000	1	128.3693	0.111	3	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	130.4550	0.000	1	130.4550	0.000	1	129.0576	1.229	5	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	128.7082	0.909	4	128.7082	0.825	4	129.0576	1.229	5	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5,6]-3:N[5]-3:N-2:	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5,6]C[5,6]N[6])(N[5]C[5]C)(NC)	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5,6]C[5,6]N[6])(N[5]C[5]C)(NC){1|C<3>,1|O<1>,3|C<4>}	127.2810	0.000	1	127.2810	0.000	1	127.2810	0.000	1	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){2|H<1>}	123.3410	0.000	1	123.3410	0.000	1	124.0170	0.914	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NS)	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NS){1|O<1>,2|C<4>}	124.6930	0.000	1	124.6930	0.000	1	124.0170	0.914	2	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C[6])(N[5]C[5]C)(OCu)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C[6])(N[5]C[5]C)(OCu){1|N<2>,1|N<3>,2|H<1>}	124.6520	0.000	1	124.6520	0.000	1	124.6520	0.000	1	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(SIr){2|H<1>}	125.8119	2.189	12	125.8119	4.793	12	125.6896	3.920	15	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(SPd){2|H<1>}	125.2003	0.791	3	125.2003	0.625	3	125.6896	3.920	15	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(SeZn){2|H<1>}	125.2653	0.439	6	125.2653	0.192	6	125.4444	0.385	7	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(SeBr)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(SeBr){2|H<1>}	126.5190	0.000	1	126.5190	0.000	1	125.4444	0.385	7	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|H<1>,3|C<3>}	127.8630	0.000	1	127.8630	0.000	1	129.3709	0.902	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	128.9030	0.000	1	128.9030	0.000	1	129.3709	0.902	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	130.2300	0.000	1	130.0006	0.116	5	129.3709	0.902	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	129.9433	0.365	4	130.0006	0.116	5	129.3709	0.902	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	128.1980	0.000	1	128.1980	0.000	1	129.3709	0.902	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a])	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a]){1|C<4>,1|H<1>,1|O<1>}	122.5000	0.000	1	122.5000	0.000	1	122.5000	0.000	1	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(SRh){2|H<1>}	124.0160	0.000	1	124.0160	0.000	1	125.3580	1.366	3	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(SZn){2|H<1>}	126.0290	0.174	2	126.0290	0.030	2	125.3580	1.366	3	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeCd)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeCd){2|C<3>,2|H<1>}	125.6700	0.000	1	125.6700	0.000	1	125.7323	0.105	3	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeZn){2|C<3>,2|H<1>}	125.7635	0.452	2	125.7635	0.204	2	125.7323	0.105	3	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PP)	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PP){2|C<3>,2|H<1>}	126.2860	0.000	1	126.2860	0.000	1	126.2860	0.000	1	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SBi){2|H<1>}	126.2924	0.886	21	126.2592	0.772	22	125.8833	1.005	32	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,2|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SBi){3|H<1>}	125.5630	0.000	1	126.2592	0.772	22	125.8833	1.005	32	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SPd){2|H<1>}	124.9177	0.183	4	124.9177	0.034	4	125.8833	1.005	32	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SRh){2|H<1>}	125.1483	0.976	6	125.1483	0.952	6	125.8833	1.005	32	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeBi)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeBi){2|H<1>}	125.1095	0.416	2	125.1095	0.173	2	125.7395	1.107	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeCu)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeCu){2|H<1>}	124.9175	0.060	2	124.9175	0.004	2	125.7395	1.107	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeRh)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeRh){2|H<1>}	125.8035	0.339	2	125.8035	0.115	2	125.7395	1.107	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeTe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeTe){2|H<1>}	127.1275	1.206	2	127.1275	1.454	2	125.7395	1.107	8	125.9374	3.553	116	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cd<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.3750	0.000	1	129.3750	0.000	1	128.6825	0.809	4	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Co<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	127.9450	0.498	2	127.9450	0.248	2	128.6825	0.809	4	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.4650	0.000	1	129.4650	0.000	1	128.6825	0.809	4	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.1090	0.000	1	129.1090	0.000	1	129.1291	0.563	7	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.4700	0.000	1	129.4700	0.000	1	129.1291	0.563	7	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.7750	0.263	2	128.7750	0.069	2	129.1291	0.563	7	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.2750	0.000	1	128.2750	0.000	1	129.1291	0.563	7	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.9020	0.000	1	129.7500	1.438	2	129.1291	0.563	7	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	130.5980	0.000	1	129.7500	1.438	2	129.1291	0.563	7	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCO)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCO)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|N<3>,5|C<3>}	122.8630	0.000	1	122.8630	0.000	1	122.8630	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CNO)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|Zn<5>,1|H<1>,4|C<3>}	125.5385	0.151	2	125.5385	0.023	2	125.5385	0.023	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Rh)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Rh<6>,1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Rh)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	124.5070	0.000	1	124.5070	0.000	1	124.5070	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.6513	0.762	4	129.6513	0.581	4	130.5213	1.360	11	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Hg)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Hg<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Hg)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	130.5570	0.000	1	130.5570	0.000	1	130.5213	1.360	11	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.5760	0.000	1	129.5760	0.000	1	130.5213	1.360	11	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	131.0530	0.491	2	131.0530	0.241	2	130.5213	1.360	11	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Sn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Sn<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Sn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	132.3870	0.064	2	132.3870	0.004	2	130.5213	1.360	11	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	130.1160	0.000	1	130.1160	0.000	1	130.5213	1.360	11	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[5]N[5]2){1|C<4>,4|C<3>}	130.8075	0.281	2	130.8075	0.079	2	130.8075	0.079	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	124.7380	0.000	1	126.6140	3.508	3	127.7414	3.561	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.5520	1.318	2	126.6140	3.508	3	127.7414	3.561	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	125.6420	0.000	1	125.6420	0.000	1	127.7414	3.561	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	129.5750	0.243	2	129.5750	0.059	2	127.7414	3.561	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	130.2290	0.000	1	128.3463	2.687	3	127.7414	3.561	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.4050	0.238	2	128.3463	2.687	3	127.7414	3.561	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CSiH)	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH){1|C<3>,1|O<1>}	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CSiH){1|C<3>,1|H<1>}	126.2460	0.000	1	126.2460	0.000	1	126.2460	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:N-3:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC){1|H<1>,1|O<1>,2|C<3>}	124.6950	0.000	1	124.6950	0.000	1	124.6950	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH){1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	127.9820	0.000	1	127.9820	0.000	1	128.5275	0.595	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH){1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	129.0730	0.000	1	129.0730	0.000	1	128.5275	0.595	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	127.6560	0.000	1	127.6560	0.000	1	127.6560	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:C-3:	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH){1|C<3>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH){1|O<1>,2|C<3>}	124.8110	0.000	1	124.8110	0.000	1	124.8110	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H){1|H<1>,1|O<1>,2|C<3>}	123.7710	0.000	1	123.7710	0.000	1	126.0156	2.649	5	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	125.2920	0.000	1	125.2920	0.000	1	126.0156	2.649	5	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	127.0050	1.024	3	127.0050	1.048	3	126.0156	2.649	5	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|N<3>,4|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	121.4980	0.000	1	121.4980	0.000	1	125.3008	6.248	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH){1|Pd<4>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	130.4050	0.000	1	130.4050	0.000	1	125.3008	6.248	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Re<6>,3|H<1>,4|C<3>}	124.7278	0.767	6	125.1149	1.538	7	125.3008	6.248	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,5|C<3>}	127.4370	0.000	1	125.1149	1.538	7	125.3008	6.248	9	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H){1|O<1>,3|C<3>}	127.8690	0.000	1	127.8690	0.000	1	125.9880	7.076	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCH){1|C<4>,1|H<1>}	124.1070	0.000	1	124.1070	0.000	1	125.9880	7.076	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(NHH)	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH){1|C<2>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(NHH){1|C<4>,1|H<1>}	127.1600	0.000	1	127.1600	0.000	1	127.1600	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	123.6770	0.447	4	123.6770	0.200	4	123.6770	0.200	4	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5a]N[5a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5a]N[5a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,3|H<1>}	127.9965	0.330	2	127.9965	0.109	2	127.9965	0.109	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	129.7685	2.180	2	129.7685	4.752	2	129.9857	2.518	3	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|N<3>,4|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]C){1|H<1>,4|C<3>}	130.4200	0.000	1	130.4200	0.000	1	129.9857	2.518	3	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	127.0920	0.000	1	127.0920	0.000	1	126.0520	0.495	4	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	125.7780	0.105	2	125.7780	0.011	2	126.0520	0.495	4	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	125.5600	0.000	1	125.5600	0.000	1	126.0520	0.495	4	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH){1|Pd<4>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C){1|P<4>,5|C<3>}	122.8020	0.000	1	122.8020	0.000	1	126.5973	3.096	12	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	127.5990	0.000	1	127.5990	0.000	1	126.5973	3.096	12	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|C<3>,3|H<1>}	130.2590	0.000	1	130.2590	0.000	1	126.5973	3.096	12	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]N){2|C<3>,4|H<1>}	126.8425	0.677	2	126.8425	0.458	2	126.5973	3.096	12	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	126.1687	0.646	6	126.1687	0.417	6	126.5973	3.096	12	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,4|H<1>}	127.8110	0.000	1	127.8110	0.000	1	126.5973	3.096	12	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Ir<6>,1|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	129.5900	1.057	6	129.5900	1.117	6	128.7362	3.379	8	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Rh<4>,1|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	126.1750	0.761	2	126.1750	0.579	2	128.7362	3.379	8	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCO){2|H<1>}	129.3080	0.000	1	129.3080	0.000	1	126.9100	1.691	6	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CCC){2|H<1>}	125.3890	0.000	1	125.3890	0.000	1	126.9100	1.691	6	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CSS)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CSS){2|H<1>}	126.6908	0.257	4	126.6908	0.066	4	126.9100	1.691	6	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]N[5]N)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(NHH)	N[5](C[5]N[5]N)2(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(NHH){1|N<2>,2|C<3>}	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CCO)(H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CCO)(H)2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	128.3740	0.000	1	128.3740	0.000	1	128.3740	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	129.0830	0.495	2	129.0830	0.245	2	129.0830	0.245	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){1|C<4>,1|H<1>}	128.6380	0.045	2	128.6380	0.002	2	128.6380	0.002	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Co<6>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]C){1|Co<6>,1|C<4>,2|C<3>,2|H<1>}	126.1495	0.958	2	126.1495	0.918	2	126.1495	0.918	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHO)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CHO)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN){2|H<1>}	126.4150	0.000	1	126.4150	0.000	1	126.4150	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CN[5]HH){1|C<4>,3|C<3>}	C(N[5]C[5]2)2(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	126.4535	1.700	4	126.4535	2.890	4	127.2339	4.587	20	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CN[5]HH){1|C<4>,3|C<3>}	C(N[5]C[5]2)2(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	127.9131	1.944	8	127.9131	3.780	8	127.2339	4.587	20	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CN[5]HH){1|C<4>,3|C<3>}	C(N[5]C[5]2)2(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	126.8550	2.410	4	126.8550	5.810	4	127.2339	4.587	20	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CN[5]HH){1|C<4>,3|C<3>}	C(N[5]C[5]2)2(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	127.0348	3.041	4	127.0348	9.245	4	127.2339	4.587	20	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]Rh)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]Rh)(CN[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)2(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Rh<6>,2|C<3>,3|H<1>}	124.3950	1.492	2	124.3950	2.226	2	124.3950	2.226	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[6a]P)	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[6a]P){2|C<3>,2|H<1>}	124.0280	0.000	1	124.0280	0.000	1	124.0280	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-3:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SCu2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SCu2){2|H<1>}	125.0400	0.000	1	125.0400	0.000	1	125.0400	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Se-3:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeCu2)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(SeCu2){2|H<1>}	124.9290	0.626	2	124.9290	0.392	2	124.9290	0.392	2	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	130.0980	0.000	1	130.0980	0.000	1	130.0980	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	C(N[5]C[5]N[5])(CCC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CCC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<9>,2|H<1>,3|C<3>}	128.9630	0.000	1	128.9630	0.000	1	128.9630	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	129.2830	0.000	1	129.2830	0.000	1	129.2830	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(CN[5]HH)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(CN[5]HH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Rh<6>,2|H<1>,3|C<3>}	129.0570	0.000	1	129.0570	0.000	1	129.0570	0.000	1	127.3168	5.477	139	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	122.7150	0.933	2	122.7150	0.871	2	122.7150	0.871	2	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]C)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	126.9103	0.069	3	126.9103	0.005	3	127.0186	0.597	14	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.9357	0.899	4	127.9357	0.809	4	127.0186	0.597	14	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](N[5]C[5,6a]C)2(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](N[5]C[5,6a]C)2(CCHH){2|C<3>}	126.0290	0.000	1	126.0290	0.000	1	127.0186	0.597	14	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](N[5]C[5,6a]C)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	126.6263	0.061	6	126.6263	0.004	6	127.0186	0.597	14	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CN[5]HH){2|C<3>}	126.4210	0.540	2	126.4210	0.292	2	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]C)2(CH3){2|C<3>}	126.6076	0.483	5	126.6076	0.234	5	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3){2|C<3>}	127.0385	1.511	2	127.0385	2.283	2	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.4263	1.454	3	127.4263	2.114	3	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CHHS){2|C<3>}	128.0280	0.000	1	128.0280	0.000	1	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3){2|C<3>}	127.6650	0.031	2	127.6650	0.001	2	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(CCHH){2|C<3>}	126.8415	1.414	2	126.8415	1.998	2	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CHHN){2|C<3>}	126.3670	0.887	2	126.3670	0.786	2	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	128.2560	0.000	1	128.2560	0.000	1	127.0133	0.888	20	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Hg)(N[5]C[5,6a]C)(CH3){2|C<3>}	126.2980	0.000	1	126.2980	0.000	1	126.3985	0.020	2	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(CH3){2|C<3>}	126.4990	0.000	1	126.4990	0.000	1	126.3985	0.020	2	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH){1|C<4>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<4>}	121.6120	0.000	1	121.6120	0.000	1	121.5179	0.210	10	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH){1|C<4>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	121.5074	0.484	9	121.5074	0.235	9	121.5179	0.210	10	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	126.5320	0.000	1	126.5320	0.000	1	126.5320	0.000	1	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	125.8100	0.000	1	126.3287	0.271	3	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|S<2>}	126.8520	0.000	1	126.3287	0.271	3	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|Se<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>,1|O<1>}	126.3240	0.000	1	126.3287	0.271	3	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|I<1>}	124.7322	0.412	4	124.7322	0.170	4	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|C<4>,1|S<1>}	125.5750	0.000	1	125.5750	0.000	1	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	122.4228	0.998	5	122.4228	0.997	5	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|N<2>}	123.3560	0.000	1	123.3560	0.000	1	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<2>}	125.4890	0.000	1	125.4890	0.000	1	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cl<1>,1|C<4>}	125.5620	0.272	2	125.5620	0.074	2	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<3>}	126.5060	0.298	2	125.5994	1.248	5	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	124.9950	1.040	3	125.5994	1.248	5	124.7077	2.510	22	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(BC3){2|H<1>}	128.4205	1.221	2	128.4205	1.491	2	128.4205	1.491	2	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	126.4240	0.000	1	126.4240	0.000	1	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|H<1>}	125.6674	1.270	11	125.6674	1.613	11	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CCCH){2|H<1>}	126.5725	0.258	2	126.5725	0.067	2	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	125.9230	0.911	2	125.9230	0.829	2	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	126.1971	1.365	14	126.1550	1.757	15	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Pd<4>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CH3){1|Pd<4>,1|H<1>}	125.5660	0.000	1	126.1550	1.757	15	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CPdHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CPdHH){2|H<1>}	124.7130	0.325	2	124.7130	0.106	2	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cd<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(CH3){2|H<1>}	128.2577	0.958	3	128.2577	0.918	3	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Co<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CH3){2|H<1>}	128.2570	0.062	3	127.5750	0.986	5	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Co<6>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CH3){2|H<1>}	126.5520	0.669	2	127.5750	0.986	5	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cu<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){2|H<1>}	127.2250	0.000	1	126.6637	0.398	12	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cu<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){2|H<1>}	126.6127	0.636	11	126.6637	0.398	12	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CH3){2|H<1>}	128.0140	0.000	1	128.0140	0.000	1	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]C)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH)	N[5](C[5]N[5]C)2(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH){1|C<4>}	126.6160	1.004	2	126.6160	1.008	2	126.4172	1.576	56	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|H<1>}	127.9380	0.000	1	127.9380	0.000	1	127.9380	0.000	1	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3){2|C<3>,2|H<1>}	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	127.2940	0.000	1	127.2940	0.000	1	124.8160	9.538	3	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	125.7980	0.000	1	125.7980	0.000	1	124.8160	9.538	3	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5]C)2(CH3){1|Pd<4>,1|H<1>}	121.3560	0.000	1	121.3560	0.000	1	124.8160	9.538	3	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH){1|B<4>,1|C<4>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	125.3820	2.718	2	125.3820	7.388	2	125.3820	7.388	2	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	126.7382	0.809	4	126.7382	0.654	4	125.0738	2.242	16	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CIrHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CIrHH){2|H<1>}	122.4850	0.000	1	122.4850	0.000	1	125.0738	2.242	16	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CH3){1|Ir<8>,1|H<1>}	125.2810	0.000	1	125.2810	0.000	1	125.0738	2.242	16	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	125.5630	0.235	2	125.5630	0.055	2	125.0738	2.242	16	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Pt)(C[5]N[5]C)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Pt)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CH3){1|Pt<6>,1|H<1>}	125.4087	0.364	4	125.4087	0.132	4	125.0738	2.242	16	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)2(CH3){1|Rh<6>,1|H<1>}	123.4253	0.727	4	123.4253	0.528	4	125.0738	2.242	16	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Co<4>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CH3){2|H<1>}	126.5845	0.211	2	126.5845	0.045	2	126.5145	0.097	4	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CH3){2|H<1>}	126.4445	0.477	2	126.4445	0.228	2	126.5145	0.097	4	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	129.1080	0.622	2	127.6475	1.645	6	128.2550	1.008	21	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	126.9172	0.693	4	127.6475	1.645	6	128.2550	1.008	21	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Li)(C[5]C[5]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	128.9325	0.728	2	128.9325	0.529	2	128.2550	1.008	21	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	128.4312	0.810	13	128.4312	0.656	13	128.2550	1.008	21	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	128.1428	1.178	4	128.0314	0.797	7	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	127.8830	0.501	3	128.0314	0.797	7	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	128.1508	0.678	5	128.1508	0.460	5	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Ni<4>,1|C<4>}	130.3947	0.140	3	130.3947	0.020	3	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	128.3810	0.000	1	127.8925	0.176	6	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<5>,1|C<4>}	128.0760	0.000	1	127.8925	0.176	6	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	127.7245	0.406	4	127.8925	0.176	6	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Pd<4>,1|C<4>}	131.0350	0.000	2	131.0350	0.000	2	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	128.6462	0.767	5	128.6462	0.589	5	128.6005	1.396	28	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<4>,1|C<3>}	131.7400	0.481	2	131.7400	0.231	2	131.8200	0.135	3	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	131.9800	0.000	1	131.9800	0.000	1	131.8200	0.135	3	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	126.4960	0.583	2	126.4960	0.339	2	126.4960	0.339	2	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	127.9550	0.277	2	127.2883	1.372	3	127.7228	0.940	10	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	125.9550	0.000	1	127.2883	1.372	3	127.7228	0.940	10	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	127.3117	0.399	3	127.3117	0.159	3	127.7228	0.940	10	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.1490	0.331	2	129.1490	0.110	2	127.7228	0.940	10	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	127.5650	0.318	2	127.5650	0.101	2	127.7228	0.940	10	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<4>,1|C<4>}	127.6180	0.547	6	127.6180	0.299	6	128.2225	1.230	32	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN){2|C<4>}	C(N[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	128.4354	1.276	12	128.4354	1.627	12	128.2225	1.230	32	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	127.3757	1.014	4	127.3757	1.028	4	128.2225	1.230	32	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	128.3780	0.300	2	128.3780	0.090	2	128.2225	1.230	32	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.7780	0.283	2	129.7780	0.080	2	128.2225	1.230	32	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	128.8590	0.243	4	128.8590	0.059	4	128.2225	1.230	32	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NC[6a]C)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	127.4685	1.435	2	127.4685	2.058	2	128.2225	1.230	32	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<6>,1|C<4>}	129.3665	0.124	2	129.3665	0.015	2	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	130.3900	0.020	2	130.0091	0.270	18	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	129.9614	0.533	16	130.0091	0.270	18	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	129.0367	0.535	12	129.0367	0.286	12	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	129.3600	0.767	3	129.3600	0.589	3	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	128.4822	0.190	6	128.4822	0.036	6	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	128.5360	0.368	2	128.5360	0.135	2	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	130.1895	0.643	2	130.1895	0.413	2	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	130.4407	0.555	10	130.4407	0.308	10	129.6030	0.686	55	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CSeHH)	C(N[5]C[5]N[5])(SeC[6a]Ni)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CSeHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(SeC[6a]Ni)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	127.2895	1.252	2	127.2895	1.568	2	127.2895	1.568	2	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[6]HH)	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[6]HH){1|C<4>,1|H<1>}	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	128.4780	1.042	2	128.4780	1.086	2	128.4780	1.086	2	127.2859	4.892	311	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|C<3>,2|C<4>}	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	123.8170	0.000	1	123.8170	0.000	1	123.8170	0.000	1	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){4|C<3>}	124.1820	0.000	1	124.1820	0.000	1	124.1820	0.000	1	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	123.2290	0.000	1	123.8133	0.261	4	123.8133	0.261	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	124.0080	0.404	3	123.8133	0.261	4	123.8133	0.261	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	123.3820	0.000	1	123.3820	0.000	1	122.8800	2.775	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	124.3890	0.000	1	124.3890	0.000	1	122.8800	2.775	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	124.0230	0.000	1	123.2617	0.888	3	122.8800	2.775	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	123.5540	0.000	1	123.2617	0.888	3	122.8800	2.775	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	122.2080	0.000	1	123.2617	0.888	3	122.8800	2.775	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.2280	0.000	1	124.0120	0.093	2	122.8800	2.775	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	123.7960	0.000	1	124.0120	0.093	2	122.8800	2.775	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.1700	0.341	2	120.1700	0.116	2	122.8800	2.775	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O){6|C<3>}	123.7880	0.000	1	123.7880	0.000	1	123.2384	0.582	8	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	122.9590	0.921	3	122.9590	0.849	3	123.2384	0.582	8	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	123.7220	0.000	1	123.7220	0.000	1	123.2384	0.582	8	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	122.3480	0.000	1	122.3480	0.000	1	123.2384	0.582	8	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	123.0500	0.000	1	123.0500	0.000	1	123.2384	0.582	8	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	124.1220	0.000	1	124.1220	0.000	1	123.2384	0.582	8	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	124.0383	0.329	3	124.0383	0.108	3	123.2526	0.748	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	123.7860	0.508	2	123.7860	0.258	2	123.2526	0.748	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	122.5560	0.153	2	122.5560	0.023	2	123.2526	0.748	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	122.2370	0.175	2	122.2370	0.031	2	123.2526	0.748	9	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	119.9150	0.000	1	121.9695	8.442	2	123.5407	1.916	10	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3,5]C[3])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	124.0240	0.000	1	121.9695	8.442	2	123.5407	1.916	10	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	123.0630	0.000	1	123.6977	0.250	6	123.5407	1.916	10	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|Br<1>,1|H<1>,3|C<3>}	123.3800	0.000	1	123.6977	0.250	6	123.5407	1.916	10	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	123.6140	0.000	1	123.6977	0.250	6	123.5407	1.916	10	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]2)(N[5]C[5,6a]C)(O){3|C<3>,3|H<1>}	124.0430	0.437	3	123.6977	0.250	6	123.5407	1.916	10	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[5,6a]C[3]O[3])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	124.6410	0.216	2	124.6410	0.047	2	123.5407	1.916	10	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.3060	0.000	1	123.7590	0.410	2	123.7590	0.410	2	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,4|C<3>}	124.2120	0.000	1	123.7590	0.410	2	123.7590	0.410	2	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	123.0730	0.000	1	123.3205	0.123	2	123.3205	0.123	2	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	123.5680	0.000	1	123.3205	0.123	2	123.3205	0.123	2	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	123.7930	0.233	2	123.7930	0.054	2	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	122.9180	0.000	1	122.5080	0.336	2	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	122.0980	0.000	1	122.5080	0.336	2	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	123.9130	0.000	1	123.9130	0.000	1	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	123.7120	0.000	1	123.7120	0.000	1	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	120.9080	0.000	1	120.9080	0.000	1	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	124.0190	0.000	1	124.0190	0.000	1	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	124.2850	0.000	1	124.2850	0.000	1	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	123.5170	0.000	1	123.0467	0.627	19	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	122.7137	0.816	3	123.0467	0.627	19	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	123.4650	0.000	1	123.0467	0.627	19	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	123.3860	0.785	5	123.0467	0.627	19	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.8660	0.000	1	123.0467	0.627	19	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	122.4250	0.653	6	123.0467	0.627	19	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	124.0150	0.000	1	123.0467	0.627	19	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,2|H<1>,5|C<3>}	123.4030	0.000	1	123.0467	0.627	19	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	123.3135	1.088	2	123.8100	0.773	5	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	123.5060	0.000	1	123.8100	0.773	5	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	124.4585	0.695	2	123.8100	0.773	5	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,3|C<3>}	123.0950	0.000	1	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	124.2570	0.542	2	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.7140	0.000	1	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	123.6117	0.430	3	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	123.2380	0.000	1	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	123.4460	0.000	1	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	122.2390	0.000	1	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	124.3200	0.000	1	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	123.4160	0.610	2	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	122.7790	0.000	1	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	123.7350	0.000	1	123.4498	0.420	15	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	123.7860	0.000	1	123.8267	0.678	7	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	123.2680	0.000	1	123.8267	0.678	7	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	123.9466	0.960	5	123.8267	0.678	7	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	123.2850	0.000	1	123.8050	0.541	2	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.3250	0.000	1	123.8050	0.541	2	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	122.6900	0.000	1	122.8365	0.043	2	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	122.9830	0.000	1	122.8365	0.043	2	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.8290	0.000	1	123.8290	0.000	1	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	119.5940	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	120.0290	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	124.0660	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	123.8440	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	124.8960	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	123.8760	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	123.5120	0.065	2	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	123.4610	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	118.9620	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,6|C<3>}	122.7750	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.4960	0.683	3	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.6840	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	123.0870	0.496	2	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	122.1207	1.081	3	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	122.9660	0.512	5	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,5|C<3>}	122.4580	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,3|H<1>,4|C<3>}	123.5410	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<2>,5|C<3>}	123.2870	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.1030	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.9470	0.280	2	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	123.8285	0.598	8	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,2|N<3>,4|C<3>}	123.8020	0.000	1	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	123.6195	1.230	2	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){3|H<1>,5|C<3>}	122.9130	2.997	2	123.1555	1.732	44	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.5783	0.146	6	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.6070	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<2>,3|C<3>,3|C<4>}	122.9220	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.3310	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.8830	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	124.5740	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	123.3840	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	123.6500	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	123.5800	0.134	2	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	122.6830	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,2|H<1>,4|C<3>}	124.2700	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	123.1120	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	123.9301	0.924	7	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.5653	1.720	3	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	123.1020	0.000	1	123.6329	0.546	29	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.8290	0.546	4	123.7542	0.263	14	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	123.8430	0.000	1	123.7542	0.263	14	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	123.7350	0.775	2	123.7542	0.263	14	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	123.4750	0.000	1	123.7542	0.263	14	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	124.2755	0.573	2	123.7542	0.263	14	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.5850	0.000	1	123.7542	0.263	14	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	122.7960	0.000	1	123.7542	0.263	14	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	123.7615	0.047	2	123.7542	0.263	14	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	123.1395	1.736	2	123.5405	1.254	4	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	123.9415	0.326	2	123.5405	1.254	4	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	123.3070	0.000	1	123.6190	0.319	3	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.7750	0.701	2	123.6190	0.319	3	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	122.7250	0.000	1	122.7250	0.000	1	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<1>,4|C<3>}	122.0890	0.000	1	122.0890	0.000	1	123.3885	0.945	156	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	124.0580	0.000	1	124.0580	0.000	1	124.0580	0.000	1	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6a]C[5,6]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6a]C[5,6]H)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	121.6470	0.512	2	121.6470	0.262	2	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.9530	0.000	1	123.9530	0.000	1	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|Cl<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	119.2710	0.000	1	122.4159	1.799	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.3760	0.000	1	122.4159	1.799	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.6255	0.223	2	122.4159	1.799	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|N<3>,3|C<3>}	122.5170	0.000	1	122.4159	1.799	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	123.1380	0.000	1	122.4159	1.799	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	122.6805	0.711	2	122.4159	1.799	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	121.8290	0.000	1	122.4159	1.799	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|C<4>,2|N<3>,4|C<3>}	123.0480	0.000	1	122.5000	1.321	3	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	122.2260	1.481	2	122.5000	1.321	3	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	121.8890	0.000	1	121.8890	0.000	1	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	122.9260	0.000	1	122.9260	0.000	1	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	123.0295	0.448	2	123.0295	0.200	2	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.1967	0.360	3	123.1058	0.119	4	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	122.8330	0.000	1	123.1058	0.119	4	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	123.2880	0.000	1	123.3255	0.127	4	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	123.5725	0.218	2	123.3255	0.127	4	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	122.8690	0.000	1	123.3255	0.127	4	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	122.7810	0.000	1	122.7810	0.000	1	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	123.3560	0.141	2	123.3560	0.020	2	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	123.3073	0.446	3	123.6075	0.677	6	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	124.5040	0.559	2	123.6075	0.677	6	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	122.7150	0.000	1	123.6075	0.677	6	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	122.9798	0.667	6	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	123.2640	0.000	1	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	123.4450	0.563	2	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	123.3530	0.864	2	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	123.3013	0.677	3	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	123.6890	0.470	2	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	124.7770	0.000	1	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	123.6900	0.000	1	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.8120	0.000	1	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.5760	0.000	1	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	123.1855	0.521	2	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.9533	0.269	3	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	123.0600	0.000	1	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	123.9650	0.768	2	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	123.3460	0.516	2	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	122.7100	1.066	2	123.3503	0.524	32	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	123.6232	0.468	4	123.6907	0.600	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	123.6900	0.000	1	123.6907	0.600	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	124.4745	1.071	2	123.6907	0.600	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	123.7160	0.000	1	123.6907	0.600	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){6|C<3>}	122.3680	0.000	1	123.6907	0.600	9	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.0405	0.040	2	123.5234	0.422	7	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.3410	1.039	2	123.5234	0.422	7	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	123.9670	0.405	3	123.5234	0.422	7	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.7480	0.119	2	123.7480	0.014	2	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O){5|C<3>}	123.5810	0.000	1	123.5810	0.000	1	123.2229	0.757	87	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	121.1100	0.000	1	123.5528	1.887	5	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	124.1635	0.174	4	123.5528	1.887	5	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	124.2280	0.317	2	124.2280	0.100	2	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	123.6068	0.610	6	123.6068	0.372	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	123.4820	0.000	1	123.2944	1.227	17	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	123.4969	0.585	14	123.2944	1.227	17	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	119.5470	0.000	1	123.2944	1.227	17	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	124.0190	0.000	1	123.2944	1.227	17	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	121.0220	0.000	1	123.6131	0.802	27	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	124.4560	0.000	1	123.6131	0.802	27	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	123.3355	0.605	2	123.6131	0.802	27	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	123.7005	0.774	22	123.6131	0.802	27	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	123.9940	0.000	1	123.6131	0.802	27	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	122.6120	0.000	1	122.6120	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	123.3420	0.000	1	123.3420	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.6960	0.000	1	123.1558	0.213	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	123.2920	0.000	1	123.1558	0.213	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	123.5480	0.000	1	123.1558	0.213	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	122.7230	0.429	2	123.1558	0.213	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	122.9530	0.000	1	123.1558	0.213	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O){1|S<2>,2|H<1>,5|C<3>}	123.3710	0.000	1	123.3710	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	122.3290	0.000	1	122.3290	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	123.2810	0.000	1	123.2329	0.871	7	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	123.5460	0.000	1	123.2329	0.871	7	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	124.0820	0.000	1	123.2329	0.871	7	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	122.0515	0.555	2	123.2329	0.871	7	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){5|C<3>}	123.8090	0.800	2	123.2329	0.871	7	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	124.1400	0.000	1	123.7367	0.216	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	123.7237	0.474	3	123.7367	0.216	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	123.5545	0.631	2	123.7367	0.216	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	123.3303	0.985	4	123.3303	0.971	4	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	124.0130	0.000	1	124.0130	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,5|C<3>}	123.8740	0.670	3	123.8740	0.449	3	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	125.8650	0.000	1	125.8650	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	124.0105	0.515	2	124.0105	0.266	2	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	121.9160	0.000	1	121.9160	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	124.4940	0.974	2	124.4940	0.949	2	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	124.3412	0.434	5	124.1924	0.314	7	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	123.8205	0.861	2	124.1924	0.314	7	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){1|N<3>,6|C<3>}	122.5940	0.000	1	122.5940	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	123.8297	0.694	6	123.8297	0.481	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	122.2603	0.712	6	122.2603	0.507	6	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O){1|N<2>,5|C<3>}	124.0450	0.000	1	124.0450	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	124.7700	0.909	2	124.7700	0.827	2	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|Cl<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O){2|C<3>}	123.7260	0.000	1	123.7260	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O){2|C<3>}	124.3410	0.000	1	124.3410	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	124.2280	0.000	1	124.2280	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	122.9560	0.058	2	122.9560	0.003	2	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[4]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[4]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	122.7470	0.000	1	122.7470	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	123.4940	0.000	1	123.4940	0.000	1	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	123.5930	0.154	2	123.6873	0.039	3	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	123.8760	0.000	1	123.6873	0.039	3	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	123.1617	0.288	3	123.1617	0.083	3	123.5220	0.837	130	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CC[5a]HH){2|C<4>,2|H<1>}	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.9190	1.008	2	122.9190	1.017	2	123.1328	0.448	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CC[5a]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CC[5a]HH){2|C<4>,2|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.3465	0.378	2	123.3465	0.143	2	123.1328	0.448	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[5a]HH){4|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.1200	2.038	2	123.1200	4.153	2	123.1200	4.153	2	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CC[6]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CC[6]HH){2|C<4>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.3798	0.518	4	123.3798	0.269	4	123.3798	0.269	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]C[6a]N[3])(N[5]C[5]C)(O)	N[5](C[5]C[3,5]O)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]C[6a]N[3])(N[5]C[5]C)(O){1|H<1>,1|O<1>,3|C<3>}	123.8565	0.863	2	123.8565	0.745	2	123.3808	0.591	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]N[3]H)(N[5]C[5]C)(O)	N[5](C[5]C[3,5]O)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]N[3]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	122.9050	0.348	2	122.9050	0.121	2	123.3808	0.591	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[3x5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6,6]O)2(CC[6a]HH){4|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	123.1195	1.230	2	123.1195	1.512	2	123.1195	1.512	2	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	123.0200	0.000	1	123.1417	0.113	6	123.1417	0.113	6	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	123.3890	0.000	1	123.1417	0.113	6	123.1417	0.113	6	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,3|H<1>}	123.2663	0.310	3	123.1417	0.113	6	123.1417	0.113	6	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,2|H<1>}	122.6420	0.000	1	123.1417	0.113	6	123.1417	0.113	6	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,3x6]-4:N[5]-3:O-1:	N[5](C[5]C[5,3x6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,3x6]O)2(CC[6a]HH){2|C<4>,2|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|Br<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	122.8645	0.359	2	123.1723	0.651	6	123.1723	0.651	6	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,3x6]-4:N[5]-3:O-1:	N[5](C[5]C[5,3x6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,3x6]O)2(CC[6a]HH){2|C<4>,2|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	123.1247	1.085	3	123.1723	0.651	6	123.1723	0.651	6	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,3x6]-4:N[5]-3:O-1:	N[5](C[5]C[5,3x6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,3x6]O)2(CC[6a]HH){2|C<4>,2|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|S<2>,4|C<3>}	123.9310	0.000	1	123.1723	0.651	6	123.1723	0.651	6	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|S<1>,2|C<4>,3|H<1>}	122.4940	0.000	1	122.4940	0.000	1	123.0788	0.220	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	123.2895	0.149	2	123.1276	0.206	12	123.0788	0.220	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	123.1975	0.865	2	123.1276	0.206	12	123.0788	0.220	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.1135	0.011	2	123.1276	0.206	12	123.0788	0.220	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	123.0550	0.530	6	123.1276	0.206	12	123.0788	0.220	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<2>,3|C<3>}	121.7480	0.000	1	121.6020	0.043	2	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<4>,3|C<3>}	121.4560	0.000	1	121.6020	0.043	2	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	124.0815	0.844	2	124.0815	0.712	2	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,4|C<3>}	122.6610	0.000	1	122.6510	0.000	2	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>,3|H<1>}	122.6410	0.000	1	122.6510	0.000	2	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	122.9260	0.000	1	122.9260	0.000	1	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|S<1>,1|S<2>,2|H<1>}	122.2150	0.000	1	122.2150	0.000	1	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	124.9183	0.420	4	124.9183	0.177	4	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,5|H<1>}	124.0380	0.000	1	124.7310	0.380	3	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	125.0775	0.197	2	124.7310	0.380	3	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	121.0270	0.000	1	121.0270	0.000	1	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	123.9450	0.601	2	123.9450	0.361	2	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	123.4430	0.000	1	123.4430	0.000	1	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	123.0550	0.000	1	123.2611	0.174	7	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	123.1770	0.518	4	123.2611	0.174	7	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	123.4260	0.000	1	123.2611	0.174	7	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	123.6390	0.000	1	123.2611	0.174	7	123.4948	1.370	26	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]N[5,6]C[6]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]N[5,6]C[6]2)(N[5]C[5]C)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.2210	0.000	1	121.2210	0.000	1	123.6412	0.927	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]N[5,6]C[6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH){3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]N[5,6]C[6]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	124.4700	0.000	1	124.4700	0.000	1	123.6412	0.927	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	124.4733	0.093	3	124.4733	0.009	3	123.6412	0.927	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	123.0735	0.879	2	123.4214	0.441	5	123.6412	0.927	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	123.8910	0.000	1	123.4214	0.441	5	123.6412	0.927	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	123.5345	0.711	2	123.4214	0.441	5	123.6412	0.927	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	123.3900	0.000	1	123.3900	0.000	1	123.6412	0.927	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.8640	0.561	2	123.8640	0.315	2	123.6412	0.927	13	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	123.8030	0.216	2	122.9845	1.472	4	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	122.1660	1.300	2	122.9845	1.472	4	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	121.9530	0.000	1	121.9530	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CS)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CS)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	121.9400	0.000	1	121.9400	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	122.2210	0.000	1	122.2210	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]SeC)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|Se<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]SeC)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	122.8960	0.000	1	122.8960	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	124.0410	0.000	1	124.0410	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	124.7535	0.129	2	124.7535	0.017	2	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	124.5660	0.620	4	124.5660	0.384	4	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|S<1>}	122.7520	0.000	1	123.4865	1.079	2	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	124.2210	0.000	1	123.4865	1.079	2	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	123.6320	0.000	1	123.6320	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	125.5535	0.400	2	125.5535	0.160	2	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(O){1|O<1>}	126.3020	0.000	1	126.3020	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|N<2>}	120.8660	0.000	1	120.8660	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|O<1>}	120.7830	0.000	1	120.7830	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|S<1>}	120.1160	0.000	1	120.1160	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.1015	1.047	2	123.1015	1.097	2	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.5960	0.000	1	122.5960	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.4550	0.000	1	123.4550	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.3240	0.000	1	123.3240	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>}	123.6440	0.000	1	123.8174	0.323	7	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	124.3340	0.000	1	123.8174	0.323	7	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	123.5500	0.123	2	123.8174	0.323	7	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|N<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>}	124.8560	0.000	1	123.8174	0.323	7	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.3940	0.215	2	123.8174	0.323	7	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){1|N<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	122.2980	0.000	1	122.2980	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH){2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>}	123.4295	1.047	2	123.4295	1.097	2	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){2|C<3>}	122.3100	0.000	1	122.3100	0.000	1	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O){1|H<1>,3|C<3>}	122.4870	0.113	2	122.4870	0.013	2	123.3638	1.828	42	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.3095	1.402	10	123.3095	1.964	10	123.3095	1.964	10	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	125.9780	1.069	3	125.9780	1.143	3	125.5210	1.597	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.1500	0.000	1	124.1500	0.000	1	125.5210	1.597	4	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	124.4070	0.000	1	124.4070	0.000	1	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	125.9140	0.000	1	125.9140	0.000	1	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	123.4480	0.000	1	123.4480	0.000	1	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){2|C<4>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|O<1>}	126.5545	0.031	4	126.5545	0.001	4	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	124.1010	0.000	1	124.1010	0.000	1	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	123.4470	0.000	1	123.4470	0.000	1	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){3|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	122.8940	0.000	1	122.8940	0.000	1	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|N<2>}	122.5710	0.000	1	122.5710	0.000	1	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCC)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|O<1>}	122.0515	0.569	2	122.0515	0.324	2	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	123.2310	0.000	1	123.2310	0.000	1	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[4]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(N[5]C[5]2)(CC[4]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.6118	0.807	4	123.6118	0.651	4	124.1545	2.615	18	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,2|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	125.4870	0.000	1	125.4870	0.000	1	125.4870	0.000	1	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CN[6]HH)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CN[6]HH){4|H<1>}	C(N[5]C[5]2)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.2550	0.526	2	123.2550	0.277	2	123.2550	0.277	2	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCC)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	C(N[5]C[5]N[5])(CCC)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	123.4320	0.000	1	123.4320	0.000	1	124.1893	0.432	3	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	C(N[5]C[5]N[5])(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	124.5680	0.058	2	124.5680	0.003	2	124.1893	0.432	3	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH){1|N<3>,2|C<3>,4|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	121.5970	0.000	1	121.5970	0.000	1	121.5970	0.000	1	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	N[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(N[5]N[5,6]C)(O)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(N[5]N[5,6]C)(O){1|H<1>,2|C<4>}	123.4700	0.000	1	123.4700	0.000	1	123.4700	0.000	1	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH){2|C<3>,4|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<3>,2|H<1>}	125.0000	0.000	1	125.0000	0.000	1	125.0000	0.000	1	123.4280	1.078	584	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH){2|Cl<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS){2|C<3>}	123.1340	0.000	1	123.1340	0.000	1	123.1340	0.000	1	128.2630	19.743	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,3|C<4>,7|H<1>}	130.7140	0.000	1	130.7140	0.000	1	130.7140	0.000	1	128.2630	19.743	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,3|C<4>,7|H<1>}	130.9410	0.000	1	130.9410	0.000	1	130.9410	0.000	1	128.2630	19.743	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC){2|C<3>}	125.8550	0.000	1	125.8550	0.000	1	125.6545	1.529	4	126.1795	3.083	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	125.5877	1.505	3	125.5877	2.266	3	125.6545	1.529	4	126.1795	3.083	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<1>,1|O<2>,2|C<3>}	124.0700	0.000	1	124.3305	0.136	2	124.3305	0.136	2	126.1795	3.083	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<2>,2|C<3>,3|O<1>}	124.5910	0.000	1	124.3305	0.136	2	124.3305	0.136	2	126.1795	3.083	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH){1|O<1>,2|H<1>}	124.4150	0.000	1	124.4150	0.000	1	124.4150	0.000	1	126.1795	3.083	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]2Fe)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Fe<10>,1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]2Fe)(N[5]C[5]C)2{2|C<4>,4|H<1>}	128.0700	0.503	4	128.0700	0.253	4	128.0700	0.253	4	126.1795	3.083	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]Al2)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){2|Al<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]Al2)(N[5]C[5]C)(CHHN){2|H<1>}	126.2760	0.190	2	126.2760	0.036	2	126.2760	0.036	2	126.2760	0.036	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:2:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	126.7790	0.331	2	126.7790	0.110	2	126.7790	0.110	2	126.7790	0.110	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:2:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:S-2:C-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]CS)	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CS){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.0105	0.702	2	123.0105	0.493	2	123.0105	0.493	2	123.0105	0.493	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-3:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<3>,1|O<1>}	122.7350	0.000	1	122.7350	0.000	1	122.7350	0.000	1	122.7350	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H){1|Ru<9>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	128.0500	0.503	2	128.0500	0.253	2	128.0500	0.253	2	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]2H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	134.1400	0.191	2	134.1400	0.036	2	132.0892	16.356	5	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6]2H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<4>}	124.9230	0.000	1	124.9230	0.000	1	132.0892	16.356	5	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]2H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<4>}	133.6215	0.962	2	133.6215	0.926	2	132.0892	16.356	5	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	125.7285	0.443	2	125.7285	0.197	2	125.6943	0.102	3	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	125.6260	0.000	1	125.6260	0.000	1	125.6943	0.102	3	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,5]-3:N[5]-3:H-1:	N[5](C[5]N[5,5]Ir)(C[5]C[5,5]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)	N[5](C[5]N[5,5]Ir)(C[5]C[5,5]H)(CC[6a]2H){2|C<4>}	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H){1|Ir<6>,2|C<4>,2|H<1>}	124.6870	1.331	2	124.6870	1.771	2	124.6870	1.771	2	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H)	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.0370	1.341	2	125.0370	1.797	2	124.9547	1.275	7	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	124.4083	1.366	3	124.4083	1.865	3	124.9547	1.275	7	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6a]2H)	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<4>}	125.9410	0.000	1	125.9410	0.000	1	124.9547	1.275	7	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]2H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	125.4430	0.000	1	125.4430	0.000	1	124.9547	1.275	7	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H)	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[5](N[5]C[5]C)2(H){2|H<1>}	125.9330	1.444	2	125.9330	2.085	2	125.9330	2.085	2	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.3170	4.064	4	124.3170	16.515	4	124.3170	16.515	4	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:N-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]HN)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HN){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.6760	1.368	4	123.6760	1.870	4	123.6760	1.870	4	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>}	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){2|H<1>}	124.7080	0.000	1	124.7080	0.000	1	124.7080	0.000	1	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:S-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HS)	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a]Pd)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HS){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a]Pd)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	125.3360	0.000	1	125.3360	0.000	1	125.3360	0.000	1	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	125.3790	0.000	1	125.3790	0.000	1	125.3790	0.000	1	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:N-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHN)	C(N[5]C[5]2)(CClC)(NCS)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHN){2|H<1>}	C(N[5]C[5]2)(CClC)(NCS)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	123.2845	5.061	2	123.2845	25.611	2	123.2845	25.611	2	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHN)	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9615	1.486	4	123.9615	2.208	4	123.9615	2.208	4	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	C(N[5]C[5]2)2(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.7195	0.490	2	127.7195	0.240	2	127.7195	0.240	2	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	C(N[5]C[5]2)2(COO)(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(COO)(H)	C[5](N[5]C[5]C)2(H){2|H<1>}	123.6370	0.416	2	123.6370	0.173	2	123.6370	0.173	2	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|H<1>}	126.6180	1.510	4	126.6180	2.281	4	128.7909	2.744	15	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CCH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CCH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	128.6000	0.342	2	128.6000	0.117	2	128.7909	2.744	15	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CNO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CNO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	129.5195	0.480	2	129.5195	0.231	2	128.7909	2.744	15	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CNO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CNO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	129.0330	0.000	1	129.0330	0.000	1	128.7909	2.744	15	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	130.1447	0.742	4	130.1447	0.550	4	128.7909	2.744	15	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Tc)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Tc)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Tc<6>,1|H<1>}	129.7700	0.503	2	129.7700	0.253	2	128.7909	2.744	15	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ce)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ce)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ce<15>,1|H<1>}	126.4927	0.741	3	126.4927	0.549	3	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	128.8132	0.570	18	128.8132	0.325	18	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|C<3>}	128.1657	1.166	3	127.3338	0.710	12	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	127.0566	0.538	9	127.3338	0.710	12	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	129.9632	0.772	18	129.9632	0.596	18	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|H<1>}	128.2148	1.106	12	128.2148	1.223	12	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	128.7790	0.344	6	128.7790	0.118	6	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	129.5488	1.086	9	129.5488	1.179	9	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	128.9161	0.637	18	128.8729	0.448	21	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	128.6133	0.955	3	128.8729	0.448	21	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Sr)(C[5]C[5]H)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Sr)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Sr<10>,1|H<1>}	125.9542	0.903	6	125.9542	0.815	6	128.6162	1.745	105	127.7673	6.523	165	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<5>,1|H<1>,1|O<2>,3|C<3>}	127.8620	0.424	2	127.5555	0.474	4	127.7645	1.157	10	127.7645	1.157	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<6>,1|H<1>,1|O<2>,3|C<3>}	127.2490	0.931	2	127.5555	0.474	4	127.7645	1.157	10	127.7645	1.157	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	127.3098	0.922	4	127.3098	0.850	4	127.7645	1.157	10	127.7645	1.157	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,1|O<2>,3|C<3>}	129.0920	1.385	2	129.0920	1.917	2	127.7645	1.157	10	127.7645	1.157	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CNO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CNO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<6>,1|C<4>}	128.2910	0.399	2	128.2910	0.159	2	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CSS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CSS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	127.4080	0.132	2	127.4080	0.017	2	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CNO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CNO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	130.8115	0.886	4	130.8115	0.784	4	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	127.5915	1.059	2	127.5915	1.121	2	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CNN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CNN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Mg<4>,1|C<4>}	132.5570	0.361	2	132.5570	0.130	2	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CNN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CNN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<4>,1|C<4>}	128.7028	0.404	6	128.7028	0.164	6	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	129.9065	0.049	2	129.9065	0.002	2	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	129.5437	0.118	4	129.5437	0.014	4	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<8>,1|C<4>}	130.4580	0.018	2	130.4580	0.000	2	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	128.8969	1.011	30	128.8969	1.022	30	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Zn<6>,1|C<4>}	129.5230	0.235	2	129.5230	0.055	2	129.1727	1.571	58	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Co)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	129.2068	1.010	9	129.2068	1.020	9	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	128.2627	0.447	3	128.2627	0.200	3	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	128.5151	0.467	12	128.5151	0.218	12	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Er)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Er)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Er<12>,1|C<4>}	126.8293	0.173	3	126.8293	0.030	3	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	128.9874	0.984	45	129.2132	1.011	56	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	130.1369	0.362	11	129.2132	1.011	56	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	128.6892	0.896	6	128.6892	0.803	6	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	129.6304	0.793	21	129.6304	0.629	21	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	128.7377	0.355	9	128.7377	0.126	9	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<6>,1|C<4>}	129.7617	0.649	3	129.7617	0.421	3	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	129.1660	1.076	9	129.1660	1.158	9	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]2H){2|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	128.9403	0.705	3	128.9403	0.496	3	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Sc)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Sc)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sc<6>,1|C<4>}	128.8200	0.009	3	128.8200	0.000	3	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<6>,1|C<4>}	127.5643	0.669	3	127.3537	0.344	6	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<7>,1|C<4>}	127.1430	0.528	3	127.3537	0.344	6	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ti)(C[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ti)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])3(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ti<6>,1|C<4>}	128.1790	0.222	9	128.1790	0.049	9	128.9609	1.011	152	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	126.3280	0.000	1	126.3280	0.000	1	129.1563	6.012	3	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	130.5705	0.155	2	130.5705	0.024	2	129.1563	6.012	3	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:S-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5a]HS)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5a]HS){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	128.1870	0.000	1	128.1870	0.000	1	128.1870	0.000	1	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5a]2H){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	129.9585	0.029	2	129.9585	0.001	2	129.9585	0.001	2	129.0262	1.203	216	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]HN)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HN){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.5310	1.151	2	123.5310	1.325	2	123.5310	1.325	2	123.8700	1.007	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	124.5480	0.000	1	124.5480	0.000	1	124.5480	0.000	1	123.8700	1.007	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	122.6110	0.000	1	125.1051	5.629	9	125.1051	5.629	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Fe<6>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	127.0195	1.416	2	125.1051	5.629	9	125.1051	5.629	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Mn<6>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	123.8880	0.000	1	125.1051	5.629	9	125.1051	5.629	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Pd<4>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|H<1>}	128.0450	0.000	1	125.1051	5.629	9	125.1051	5.629	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Ru<9>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	124.7535	3.867	2	125.1051	5.629	9	125.1051	5.629	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){2|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	123.9280	1.175	2	125.1051	5.629	9	125.1051	5.629	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){2|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	127.8680	1.534	2	127.8680	2.354	2	127.4977	3.916	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]C)2(H){2|H<1>}	129.0530	0.000	1	129.0530	0.000	1	127.4977	3.916	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Fe<6>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H){2|H<1>}	126.5225	1.811	2	126.5225	3.279	2	127.4977	3.916	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Mn<6>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(H){2|H<1>}	129.2490	0.000	1	129.2490	0.000	1	127.4977	3.916	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Pd<4>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H){2|H<1>}	124.6380	0.000	1	124.6380	0.000	1	127.4977	3.916	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Ru<9>,1|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H){2|H<1>}	127.8790	3.093	2	127.8790	9.566	2	127.4977	3.916	9	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CIrN)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C(N[5]C[5]N[5])3(CIrN)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	130.6930	0.000	1	130.6930	0.000	1	130.4033	0.182	3	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CIrN)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C(N[5]C[5]N[5])3(CIrN)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	130.2585	0.489	2	130.2585	0.239	2	130.4033	0.182	3	126.8874	7.288	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	125.7020	0.000	1	125.7020	0.000	1	125.7020	0.000	1	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	123.9400	0.000	1	123.9400	0.000	1	124.7910	0.801	3	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	125.7240	0.000	1	125.7240	0.000	1	124.7910	0.801	3	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	124.7090	0.000	1	124.7090	0.000	1	124.7910	0.801	3	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	126.6580	1.243	2	126.8463	0.879	3	124.5013	9.890	6	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	127.2230	0.000	1	126.8463	0.879	3	124.5013	9.890	6	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	123.5510	0.000	1	123.5510	0.000	1	124.5013	9.890	6	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	123.8860	0.000	1	123.8860	0.000	1	124.5013	9.890	6	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	119.0320	0.000	1	119.0320	0.000	1	124.5013	9.890	6	124.7083	5.813	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:S-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(N[5]C[5]V)(CN[5]2S)	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]V)(CN[5]2S){2|H<1>}	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|H<1>,1|V<6>}	131.1458	0.495	9	131.1458	0.245	9	131.1458	0.245	9	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C(N[5]C[5]N[5])3(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	129.3118	0.658	6	129.3118	0.433	6	130.2707	0.639	36	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C(N[5]C[5]N[5])3(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	129.8247	0.325	6	129.8247	0.105	6	130.2707	0.639	36	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C(N[5]C[5]N[5])3(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	130.9278	0.396	18	130.9278	0.157	18	130.2707	0.639	36	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C(N[5]C[5]N[5])3(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	129.7043	0.345	6	129.7043	0.119	6	130.2707	0.639	36	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:S-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2S)	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2S){2|H<1>}	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	130.4933	0.876	3	130.4933	0.767	3	130.3777	0.269	20	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:S-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2S)	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2S){2|H<1>}	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	130.1673	0.409	6	130.1673	0.167	6	130.3777	0.269	20	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:S-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S)	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S){2|H<1>}	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	130.6593	0.864	3	130.4609	0.235	11	130.3777	0.269	20	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:N[5]-3:S-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S)	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S){2|H<1>}	C(N[5]C[5]N[5])3(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	130.3865	0.315	8	130.4609	0.235	11	130.3777	0.269	20	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5a]2P)	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5a]2P){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	127.2480	0.000	1	127.2480	0.000	1	128.1625	3.125	4	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P)	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	126.5750	0.000	1	126.5750	0.000	1	128.1625	3.125	4	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P)	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	129.4135	1.699	2	129.4135	2.887	2	128.1625	3.125	4	130.2937	0.936	69	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:2:1:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH){1|C<3>,1|S<2>}	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S){2|S<2>}	122.3290	0.107	2	122.3290	0.012	2	122.3290	0.012	2	121.7750	2.967	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:P[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H){2|C<3>}	124.4220	0.000	1	124.4220	0.000	1	124.4220	0.000	1	121.7750	2.967	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	121.8140	0.000	1	121.8140	0.000	1	121.8140	0.000	1	121.7750	2.967	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH){1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)(S[5]C[5])(S){2|S<2>}	119.8780	0.075	2	119.8780	0.006	2	119.8780	0.006	2	121.7750	2.967	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.2210	3.845	4	124.2210	14.783	4	124.2763	8.763	20	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8680	4.379	4	123.8680	19.178	4	124.2763	8.763	20	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.7068	2.889	5	124.5090	6.658	10	124.2763	8.763	20	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	124.3112	2.556	5	124.5090	6.658	10	124.2763	8.763	20	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0400	1.831	2	124.0400	3.354	2	124.2763	8.763	20	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	126.4245	1.561	2	126.4245	2.435	2	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	127.0031	0.906	12	127.0031	0.821	12	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.2150	0.000	1	125.2150	0.000	1	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.5632	1.825	9	126.5632	3.330	9	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>,2|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	126.2830	0.000	1	126.2830	0.000	1	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	127.1060	0.000	1	127.1060	0.000	1	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	120.0660	0.000	1	120.0660	0.000	1	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	125.1855	1.428	2	125.1855	2.038	2	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	124.2890	0.000	1	124.2890	0.000	1	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	128.0030	0.318	2	128.0030	0.101	2	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	126.7177	0.407	4	126.7177	0.165	4	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	124.0005	0.684	4	124.0005	0.467	4	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	124.7865	0.190	2	123.4017	1.452	6	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	122.7092	0.700	4	123.4017	1.452	6	125.8386	3.810	46	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	126.6520	0.000	1	126.6520	0.000	1	125.4186	2.363	10	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)2(H){2|H<1>}	125.2816	1.564	9	125.2816	2.447	9	125.4186	2.363	10	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7035	1.749	2	123.7035	3.058	2	123.7035	3.058	2	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	C(N[5]C[5]2)2(CHHO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(CHHO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.2850	1.014	2	127.2850	1.028	2	127.2850	1.028	2	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	C(N[5]C[5]2)2(CHHO)(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]2)2(CHHO)(H)	C[5](N[5]C[5]C)2(H){2|H<1>}	124.0270	1.199	2	124.0270	1.438	2	124.0270	1.438	2	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|C<3>}	128.2020	0.000	1	128.2020	0.000	1	128.0865	0.027	2	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH){2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<6>,1|H<1>}	127.9710	0.000	1	127.9710	0.000	1	128.0865	0.027	2	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]CH){1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ni<6>,2|C<3>}	128.9160	0.004	2	128.9160	0.000	2	128.9160	0.000	2	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5,5,6]-3:N[5]-3:H-1:	N[5](N[5]C[5,5,6]Zn)(C[5]C[5,5,6]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CCCS)(H)	C[5](C[5,5,6]C[5,5,6]2)(N[5]N[5]C)(H)	N[5](N[5]C[5,5,6]Zn)(C[5]C[5,5,6]H)(CN[5]CH){2|C<4>}	C(N[5]C[5]N[5])2(CCCS)(H)	C[5](C[5,5,6]C[5,5,6]2)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>,3|C<4>}	125.9410	1.107	4	125.9410	1.226	4	125.9410	1.226	4	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	127.7875	0.170	2	128.4833	0.385	6	128.4462	2.320	24	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	128.8313	0.385	4	128.4833	0.385	6	128.4462	2.320	24	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|H<1>}	129.9285	0.714	8	129.9285	0.510	8	128.4462	2.320	24	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	126.9045	0.088	2	126.9045	0.008	2	128.4462	2.320	24	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CN[5]2H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CN[5]2H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	127.5325	0.927	4	127.5325	0.858	4	128.4462	2.320	24	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	127.1103	2.038	4	127.1103	4.155	4	128.4462	2.320	24	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|C<3>}	129.4620	0.000	1	129.4620	0.000	1	129.4620	0.000	1	126.1587	6.016	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]S[5]S)(N[5]C[5]C)(SC)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH){1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]S[5]S)(N[5]C[5]C)(SC){1|S<1>}	125.1770	0.120	2	125.1770	0.014	2	125.1770	0.014	2	125.1770	0.014	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,4|C<3>}	126.8540	0.000	1	126.8540	0.000	1	126.8540	0.000	1	125.8255	2.116	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[6]N[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>,2|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[6]N[6]2)(N[5]C[5]C)2{2|H<1>,2|N<2>}	124.7970	0.000	1	124.7970	0.000	1	124.7970	0.000	1	125.8255	2.116	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C[5](N[5]C[5]C)2(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C[5](N[5]C[5]C)2(BH3){2|H<1>}	124.0620	1.590	2	124.0620	2.527	2	123.2717	1.131	14	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[5](N[5]C[5]C)2(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[5](N[5]C[5]C)2(BH3){2|H<1>}	123.1400	0.987	12	123.1400	0.974	12	123.2717	1.131	14	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<6>}	129.0560	0.735	2	129.0560	0.541	2	127.2765	2.167	6	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Y<12>,1|C<4>}	126.7410	0.491	2	126.7410	0.241	2	127.2765	2.167	6	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Y<12>,1|C<4>}	126.0325	0.230	2	126.0325	0.053	2	127.2765	2.167	6	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CHHN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	129.3552	0.835	6	129.3552	0.697	6	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CHHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	128.7805	0.204	4	128.7805	0.042	4	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CHHS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	128.3565	0.156	4	128.3565	0.024	4	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CHHS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	128.6020	0.314	2	128.6020	0.099	2	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CHHS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	129.7380	1.653	2	129.7380	2.733	2	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CH3)(H)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]CH){1|Br<1>,1|C<4>}	C(N[5]C[5]N[5])2(CH3)(H)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	126.8905	0.170	4	126.8905	0.029	4	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<8>,1|C<4>}	127.3450	0.146	2	127.3450	0.021	2	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	128.6693	0.717	4	128.6693	0.515	4	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<8>,1|C<4>}	127.6544	0.432	5	127.6544	0.187	5	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CHHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	128.1900	0.593	10	128.1900	0.352	10	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	129.2734	0.498	14	129.2734	0.248	14	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	125.4420	0.204	2	125.4420	0.041	2	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	128.9035	0.883	2	128.9035	0.780	2	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	128.8067	0.395	6	128.8067	0.156	6	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CCCS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CCCS)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	128.8925	0.264	4	128.8925	0.070	4	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CCHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CCHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	128.9900	0.327	2	128.9900	0.107	2	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	127.4400	0.728	2	127.4400	0.530	2	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	129.0840	1.340	6	129.0840	1.796	6	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zr<10>,1|C<4>}	126.6130	0.275	4	126.6130	0.076	4	128.4612	1.190	85	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:Si-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]SiH)	C(N[5]C[5]N[5])2(SiCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(SiCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	128.6210	0.659	2	128.6210	0.434	2	129.3764	3.380	18	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:Si-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]SiH)	C(N[5]C[5]N[5])2(SiC[6a]3)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(SiC[6a]3)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	127.8270	0.519	8	127.8270	0.269	8	129.3764	3.380	18	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:Si-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH)	C(N[5]C[5]N[5])2(SiCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(SiCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<4>}	131.5875	1.704	4	131.5875	2.903	4	129.3764	3.380	18	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:Si-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH)	C(N[5]C[5]N[5])2(SiCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(SiCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	130.6418	0.200	4	130.6418	0.040	4	129.3764	3.380	18	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:O-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|Br<1>,1|C<4>}	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	130.6580	0.000	1	130.6580	0.000	1	131.0745	0.347	2	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:O-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|C<4>,1|I<1>}	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	131.4910	0.000	1	131.4910	0.000	1	131.0745	0.347	2	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	125.5760	0.000	1	125.5760	0.000	1	126.3943	2.155	3	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	125.5180	0.000	1	125.5180	0.000	1	126.3943	2.155	3	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	128.0890	0.000	1	128.0890	0.000	1	126.3943	2.155	3	127.9592	4.586	128	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[5,6]C[6,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6]CH){4|C<3>}	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[5,6]C[6,6]C[6])(N[5]C[5]C)(O){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	120.0500	0.000	1	120.0500	0.000	1	122.4880	11.888	2	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6]CH){4|C<3>}	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O){1|O<1>,6|C<3>}	124.9260	0.000	1	124.9260	0.000	1	122.4880	11.888	2	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6a]CH){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	122.5470	3.008	2	122.5470	9.048	2	123.1583	7.430	4	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6a]CH){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	123.7695	3.427	2	123.7695	11.747	2	123.1583	7.430	4	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O){1|O<1>,6|C<3>}	122.6100	1.392	2	122.6100	1.937	2	122.6015	17.419	4	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O){1|O<1>,6|C<3>}	127.6090	0.000	1	127.6090	0.000	1	122.6015	17.419	4	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|O<1>,5|C<3>}	117.5770	0.000	1	117.5770	0.000	1	122.6015	17.419	4	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	124.0175	4.040	2	124.0175	16.319	2	123.8635	12.446	6	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.7415	3.921	2	123.7415	15.374	2	123.8635	12.446	6	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.8315	5.519	2	123.8315	30.459	2	123.8635	12.446	6	123.1997	10.251	16	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CC)	C(N[5]C[5]N[5])2(CH3)(COO)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CC){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CH3)(COO)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	132.9055	0.016	2	132.9055	0.000	2	132.7890	0.025	4	132.7890	0.025	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-3:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CC)	C(N[5]C[5]N[5])2(CH3)(COO)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CC){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(CH3)(COO)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	132.6725	0.145	2	132.6725	0.021	2	132.7890	0.025	4	132.7890	0.025	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]CC)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]CC){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	126.0910	16.034	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]CC)	C(N[5]C[5]N[5])2(CH3)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]CC){2|H<1>}	C(N[5]C[5]N[5])2(CH3)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	128.7185	1.315	2	128.7185	1.728	2	127.8095	1.691	4	126.0910	16.034	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:4:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CC)	C(N[5]C[5]N[5])2(CH3)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CC){2|H<1>}	C(N[5]C[5]N[5])2(CH3)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	126.9005	0.199	2	126.9005	0.039	2	127.8095	1.691	4	126.0910	16.034	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:5:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:Si-5:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH)	C(N[5]C[5]N[5])2(SiMgCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(SiMgCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Mg<5>,1|C<4>}	131.5985	1.160	2	131.5985	1.346	2	130.9518	1.054	4	130.9518	1.054	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:5:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:Si-5:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH)	C(N[5]C[5]N[5])2(SiMgCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(SiMgCCN)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<5>,1|C<4>}	130.3050	0.378	2	130.3050	0.143	2	130.9518	1.054	4	130.9518	1.054	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	S[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](S[5]C[5,5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|O<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](S[5]C[5,5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|O<2>}	120.7280	0.000	1	120.7280	0.000	1	120.7280	0.000	1	120.7280	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(S[5]C[5,5])(S)	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH){2|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(S[5]C[5,5])(S){1|Se<2>,1|C<3>}	123.8400	0.218	2	123.8400	0.047	2	123.8400	0.047	2	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,5a]C[5])(CH3)(H)2	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH){1|C<3>,1|S<2>}	C(N[5]C[5,5a]C[5])(CH3)(H)2	C[5](N[5]C[5,5a]C)(S[5]C[5,5a])(S){2|S<2>}	123.1650	0.000	1	123.1650	0.000	1	123.1650	0.000	1	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6,6]C)(S[5]C[5,6,6])(S)	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>}	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6,6]C)(S[5]C[5,6,6])(S){2|P<3>}	121.7082	0.954	4	121.7285	0.655	6	121.7285	0.655	6	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6,6]C)(S[5]C[5,6,6])(S)	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|P<3>,2|C<3>}	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6,6]C)(S[5]C[5,6,6])(S){2|P<3>}	121.7690	0.734	2	121.7285	0.655	6	121.7285	0.655	6	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|N<3>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){2|P<3>}	120.0653	1.336	4	120.8730	1.808	10	121.0146	1.590	12	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|P<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){2|P<2>}	120.4130	0.000	1	120.8730	1.808	10	121.0146	1.590	12	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,2|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){2|P<3>}	121.5395	1.326	4	120.8730	1.808	10	121.0146	1.590	12	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|Cl<1>,1|C<3>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){2|P<3>}	121.8980	0.000	1	120.8730	1.808	10	121.0146	1.590	12	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S)	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH){1|Se<2>,1|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)(S[5]C[5,6])(S){1|Se<2>,1|C<3>}	121.7225	0.105	2	121.7225	0.011	2	121.0146	1.590	12	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:P[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(H){2|C<3>}	121.9260	0.000	1	121.9260	0.000	1	121.9260	0.000	1	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H){2|C<3>}	123.5290	1.274	2	123.5290	1.624	2	126.1125	29.271	4	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(H){2|C<3>}	128.6960	7.713	2	128.6960	59.492	2	126.1125	29.271	4	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	121.2810	0.000	1	121.2810	0.000	1	121.6510	0.274	2	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(S){2|C<3>}	122.0210	0.000	1	122.0210	0.000	1	121.6510	0.274	2	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH){1|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(H){1|C<3>,1|O<1>}	126.7610	0.000	1	126.7610	0.000	1	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]H)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]H)2(CCHH){1|Zn<4>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Zn<4>,1|H<1>}	127.7253	0.611	6	127.7253	0.374	6	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Ni)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Ni)(C[5]N[5]H)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Ni<4>,1|C<4>}	126.3780	0.000	1	126.3780	0.000	1	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<3>}	126.0630	0.000	1	125.2681	0.944	12	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	125.1958	0.984	11	125.2681	0.944	12	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	125.8102	0.994	14	125.8102	0.987	14	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Pd<4>,1|C<4>}	125.7352	1.114	6	125.7352	1.241	6	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Rh<6>,1|C<3>}	124.4960	0.501	2	124.4960	0.251	2	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH){1|C<3>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Rh<6>,1|C<3>}	124.7897	4.307	6	124.9129	15.492	8	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH){1|C<4>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Rh<6>,1|C<4>}	125.2825	3.915	2	124.9129	15.492	8	125.7351	3.600	50	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:S-1:	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH){2|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(S){1|O<1>,2|H<1>}	134.2070	0.000	1	134.2070	0.000	1	128.8220	57.996	2	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:S-1:	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]N[5])(S)	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]N[5])(S){1|C<3>}	123.4370	0.000	1	123.4370	0.000	1	128.8220	57.996	2	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH){1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H){1|Br<1>,1|H<1>}	122.9080	0.000	2	122.9080	0.000	2	122.8028	0.119	4	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H){2|C<4>}	122.3020	0.000	1	122.3020	0.000	1	122.8028	0.119	4	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H)	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH){1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(H){1|H<1>,1|I<1>}	123.0930	0.000	1	123.0930	0.000	1	122.8028	0.119	4	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<3>,1|O<1>}	122.7100	0.000	1	122.7100	0.000	1	121.8580	1.452	2	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	121.0060	0.000	1	121.0060	0.000	1	121.8580	1.452	2	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<4>,1|H<1>}	120.8630	0.000	1	120.8630	0.000	1	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH){1|I<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){1|H<1>,1|I<1>}	122.2750	0.972	2	122.2750	0.944	2	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH){1|I<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){2|I<1>}	120.9800	0.000	1	120.9800	0.000	1	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<4>,1|H<1>,1|O<1>}	123.0080	0.000	1	123.0080	0.000	1	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<3>,1|S<1>}	121.9836	0.359	5	121.9836	0.129	5	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<3>,1|S<1>}	120.9060	0.000	1	120.9060	0.000	1	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){1|C<3>,1|S<1>}	121.7428	0.255	8	122.0328	0.217	13	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){2|S<2>}	122.4968	0.314	5	122.0328	0.217	13	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){2|S<2>}	121.7545	1.723	2	121.7545	2.969	2	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH){1|Se<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){2|Se<2>}	122.3815	0.323	2	122.3815	0.104	2	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]S[5])(S)	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]S[5])(S){1|N<3>}	119.9220	0.000	1	119.9220	0.000	1	121.8912	0.580	29	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(H)	N[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH){1|H<1>}	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(H){1|Co<7>,1|H<1>}	129.7600	0.117	2	129.7600	0.014	2	130.5963	0.771	6	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:H-1:	N[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(H)	N[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){1|H<1>}	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(H){1|Ni<7>,1|H<1>}	131.0145	0.762	4	131.0145	0.581	4	130.5963	0.771	6	124.1390	9.472	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC){2|C<3>}	122.9800	0.000	1	122.9800	0.000	1	122.9800	0.000	1	122.9362	6.428	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(NC){2|C<3>}	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	122.9362	6.428	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SC){2|C<3>}	122.8450	0.000	1	122.8450	0.000	1	122.8450	0.000	1	122.9362	6.428	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:S-2:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(SC)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(SC){1|O<1>,2|C<3>}	127.3190	0.000	1	127.3190	0.000	1	127.3625	0.004	2	122.9362	6.428	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:S-2:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(SC)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(SC){1|C<3>,1|O<1>}	127.4060	0.000	1	127.4060	0.000	1	127.3625	0.004	2	122.9362	6.428	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|O<1>,2|H<1>}	122.1295	0.650	2	122.1295	0.422	2	121.6637	0.685	4	122.9362	6.428	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<4>,1|H<1>,1|O<1>}	121.1980	0.875	2	121.1980	0.766	2	121.6637	0.685	4	122.9362	6.428	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:P-2:	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5])	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]){2|C<4>}	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	122.9362	6.428	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCH){2|C<3>}	124.8340	0.000	1	124.8340	0.000	1	124.8340	0.000	1	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:P[5]-2:P-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(PCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)(P[5]C[5,6a])(PCC){2|C<3>}	124.8070	0.000	1	124.8070	0.000	1	124.8070	0.000	1	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	122.9293	1.285	3	122.9293	1.652	3	123.3814	0.598	33	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4]H){2|C<3>}	124.5500	0.000	1	124.5500	0.000	1	123.3814	0.598	33	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4a]H){2|C<3>}	123.8107	0.481	9	123.8107	0.231	9	123.3814	0.598	33	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	123.3473	0.813	12	123.3473	0.661	12	123.3814	0.598	33	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4]H){2|C<3>}	123.0102	0.557	6	123.0102	0.311	6	123.3814	0.598	33	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4a]H){2|C<3>}	122.8620	0.385	2	122.8620	0.148	2	123.3814	0.598	33	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH){2|C<3>}	123.3595	1.916	2	123.3595	3.669	2	122.9135	1.031	13	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H){2|C<3>}	122.5992	0.700	4	122.5992	0.491	4	122.9135	1.031	13	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H){2|C<3>}	123.1060	0.000	1	123.1060	0.000	1	122.9135	1.031	13	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH){2|C<3>}	123.2382	0.971	5	123.2382	0.943	5	122.9135	1.031	13	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:Se[5]-2:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H){2|C<3>}	121.4620	0.000	1	121.4620	0.000	1	122.9135	1.031	13	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-2:N-3:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)(C[5]N[5])(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<5>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)(C[5]N[5])(NOO){1|Cu<5>,1|C<4>}	129.6740	0.000	1	129.6740	0.000	1	129.6740	0.000	1	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCH)	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCH){2|C<4>}	122.1610	0.000	1	122.1610	0.000	1	123.6554	1.280	7	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]C)	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]C){2|C<4>}	122.1170	0.000	1	122.1170	0.000	1	123.6554	1.280	7	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCC)	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCC){1|C<3>,1|S<1>}	124.4745	0.335	4	124.2620	0.310	5	123.6554	1.280	7	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCC)	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|S<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCC){2|S<2>}	123.4120	0.000	1	124.2620	0.310	5	123.6554	1.280	7	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]H)	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH){1|H<1>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]H){1|C<4>,1|H<1>}	123.2100	0.000	1	123.2100	0.000	1	122.1163	1.057	3	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NCH)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NCH){1|C<3>,1|H<1>}	121.9700	0.000	1	121.9700	0.000	1	122.1163	1.057	3	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]S[5])(NCH)	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]S[5])(NCH){1|S<1>}	121.1690	0.000	1	121.1690	0.000	1	122.1163	1.057	3	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:P-4:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP)	C(N[5]C[5]2)(PHOO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NHH)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP){1|H<1>,2|C<3>}	C(N[5]C[5]2)(PHOO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NHH){1|C<3>,1|H<1>}	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	123.3773	1.616	60	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CH3){2|C<3>}	123.8910	0.000	1	123.8910	0.000	1	123.8910	0.000	1	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CCHH)	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CCHH){1|C<3>,1|O<1>}	127.8060	0.000	1	127.8060	0.000	1	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CH3)	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CH3){1|C<3>,1|O<1>}	128.6953	0.131	3	128.6953	0.017	3	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<1>}	126.6982	0.878	6	127.3587	0.587	35	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|B<4>,1|S<2>}	127.6343	0.726	20	127.3587	0.587	35	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<4>,1|S<2>}	127.3867	0.317	3	127.3587	0.587	35	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<6>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|S<2>}	126.7897	0.252	4	127.3587	0.587	35	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<6>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|S<3>}	127.6795	0.175	2	127.3587	0.587	35	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CHHS)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CHHS){1|H<1>,1|S<1>}	127.6110	0.000	1	127.6110	0.000	1	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CClHH)	N[5](C[5]N[5]C)2(CCHH){1|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5])(CClHH){1|C<4>,1|H<1>}	127.4670	0.000	1	127.4670	0.000	1	127.4762	0.626	41	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCHH)	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH){1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CCHH){2|H<1>}	125.0520	0.000	1	125.0520	0.000	1	125.0520	0.000	1	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:P-4:	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]SS)	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]SS){2|C<4>}	123.7035	0.432	2	123.7035	0.187	2	123.7035	0.187	2	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-2:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](N[5]N[5]C)(C[5]C[5])(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](N[5]N[5]C)(C[5]C[5])(CH3){1|Zn<4>,1|C<4>}	126.6445	1.753	2	126.6445	3.073	2	126.6445	3.073	2	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(CCHH)	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){3|C<3>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(CCHH){2|C<3>}	133.2550	0.000	1	133.2550	0.000	1	133.2550	0.000	1	127.2795	2.307	48	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C[5](N[5]S[5,5]C[6a])(N[5]C[5,5]C)(Se)	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	C[5](N[5]S[5,5]C[6a])(N[5]C[5,5]C)(Se){2|C<3>,2|N<3>}	120.7493	1.413	4	120.7493	1.996	4	120.7493	1.996	4	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C[5](C[5]C[5,5a]C)(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C[5](C[5]C[5,5a]C)(N[5]C[5,5a]C)(O){1|C<3>,1|S<2>}	124.4060	0.000	1	124.4060	0.000	1	124.4263	2.193	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	125.3635	0.764	2	125.3635	0.584	2	124.4263	2.193	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C[5](C[5]C[5,5a]O)(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C[5](C[5]C[5,5a]O)(N[5]C[5,5a]C)(O){1|C<3>,1|S<2>}	124.8900	0.676	2	124.8900	0.457	2	124.4263	2.193	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	121.6450	0.000	1	121.6450	0.000	1	124.4263	2.193	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH){1|Br<1>,1|B<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|In<5>,1|B<4>}	124.2230	3.783	4	124.2230	14.314	4	124.2230	14.314	4	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]Pt)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]Pt)(N[5]C[5,6]C)(H){1|C<3>,1|N<2>}	128.2220	0.464	2	128.2220	0.215	2	126.2094	3.287	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]Ru)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]Ru)(N[5]C[5,6]C)(H){1|C<3>,1|N<2>}	126.0500	0.366	2	126.0500	0.134	2	126.2094	3.287	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C[5](N[5]C[5,6]Cu)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Cu<4>,2|C<3>}	C(N[5]C[5,6]C[5])(CHHN)(H)2	C[5](N[5]C[5,6]Cu)(N[5]C[5,6]C)(H){1|C<3>,1|N<2>}	126.6920	1.766	2	126.6920	3.120	2	126.2094	3.287	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(H)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(H){2|P<4>}	123.8735	0.088	2	123.8735	0.008	2	126.2094	3.287	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Al<4>,1|C<3>,1|C<4>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(S){2|P<3>}	124.0440	0.395	4	123.6203	0.240	12	123.6203	0.240	12	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(S){2|P<3>}	123.5007	0.444	4	123.6203	0.240	12	123.6203	0.240	12	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(S)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Se<2>,1|C<3>,1|C<4>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(S){2|P<3>}	123.3162	0.383	4	123.6203	0.240	12	123.6203	0.240	12	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(Se)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|P<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(Se){2|P<3>}	123.5427	0.766	4	124.4006	1.133	8	124.4006	1.133	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(Se)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(Se){2|P<2>}	125.2585	0.306	4	124.4006	1.133	8	124.4006	1.133	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	123.8540	0.000	1	123.8540	0.000	1	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	123.3208	0.840	5	123.3208	0.705	5	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|Cl<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	118.5800	0.000	1	122.0203	5.993	4	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	123.1670	1.048	3	122.0203	5.993	4	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	124.0454	0.545	8	124.0454	0.297	8	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	123.7553	0.936	17	123.7553	0.875	17	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	123.7030	0.522	2	123.7030	0.272	2	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	124.3538	0.324	4	124.3538	0.105	4	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	122.5915	0.351	2	122.5915	0.124	2	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	124.1920	0.745	2	124.1920	0.555	2	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH){3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	124.8085	0.105	2	124.8085	0.011	2	123.6755	1.267	47	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.7280	0.402	2	125.7280	0.161	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	126.3650	0.000	1	125.6775	0.945	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	124.9900	0.000	1	125.6775	0.945	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	124.8075	0.152	2	124.8075	0.023	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	124.5170	1.312	3	124.5170	1.721	3	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.7646	0.979	74	125.8069	1.079	75	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|O<1>,2|N<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<3>}	128.9430	0.000	1	125.8069	1.079	75	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){1|N<2>,3|C<3>}	124.4810	0.547	3	125.0884	1.070	5	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){2|C<3>,2|N<2>}	125.9995	0.955	2	125.0884	1.070	5	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(H){2|C<3>}	125.0880	0.000	1	125.0880	0.000	1	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	126.9510	0.000	1	126.9510	0.000	1	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.6692	0.996	22	125.6692	0.991	22	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	125.0290	0.192	2	125.0290	0.037	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.4995	0.138	2	125.4995	0.019	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H){4|C<3>}	125.1670	0.000	1	125.1670	0.000	1	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.6590	1.097	7	125.2056	2.675	8	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cl<1>,1|C<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	122.0320	0.000	1	125.2056	2.675	8	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	126.1388	1.566	6	126.1388	2.451	6	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ni<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(H){2|C<3>}	126.3970	0.846	2	126.3970	0.715	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){2|C<3>}	125.3743	1.128	4	125.3743	1.271	4	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHOO)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	125.8855	0.482	2	125.8855	0.232	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.2880	0.255	4	125.2880	0.065	4	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	124.8213	0.828	3	124.8213	0.686	3	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){2|C<3>}	127.6000	0.000	1	127.6000	0.000	1	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]C)2(H){1|C<3>,1|N<2>}	127.0930	0.000	1	127.0930	0.000	1	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	126.1200	0.599	4	126.1200	0.359	4	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Co<6>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	127.6610	0.000	1	127.6610	0.000	1	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Cu<5>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	127.5905	1.412	2	127.5905	1.994	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<2>}	127.8470	0.543	2	127.8470	0.295	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Os<9>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.0460	0.000	1	126.0460	0.000	1	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.0565	1.363	4	126.0565	1.859	4	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Re<6>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Re)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.0245	0.975	2	126.0245	0.951	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Rh<5>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	125.9020	0.000	1	125.9020	0.000	1	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<6>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.8610	0.000	1	126.5235	0.228	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	126.1860	0.000	1	126.5235	0.228	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	125.9945	0.804	2	125.9945	0.646	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH){1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	122.1830	2.138	2	122.1830	4.572	2	125.7292	1.375	172	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(S){2|C<3>}	124.0730	0.000	1	124.0730	0.000	1	124.7290	0.926	5	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHN)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	126.0930	0.000	1	126.0930	0.000	1	124.7290	0.926	5	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	123.5840	0.000	1	123.5840	0.000	1	124.7290	0.926	5	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	124.9475	0.084	2	124.9475	0.007	2	124.7290	0.926	5	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	125.8750	0.538	4	125.8750	0.289	4	125.2026	0.722	10	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	123.7200	0.000	1	123.7200	0.000	1	125.2026	0.722	10	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	125.3670	0.000	1	125.3670	0.000	1	125.2026	0.722	10	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	124.4500	0.578	2	124.4500	0.335	2	125.2026	0.722	10	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	125.2695	0.342	2	125.2695	0.117	2	125.2026	0.722	10	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	P[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](P[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](P[5]C[5,6a]Cu)(N[5]C[5,6a]C)(H){2|C<3>}	122.5378	0.657	5	122.5378	0.432	5	122.5378	0.432	5	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	125.0050	0.000	1	125.0050	0.000	1	125.0050	0.000	1	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	124.6680	0.000	1	124.6680	0.000	1	125.1055	0.383	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|N<3>}	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(H){1|C<3>,1|N<3>}	125.5430	0.000	1	125.5430	0.000	1	125.1055	0.383	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S){1|H<1>,2|C<3>,2|C<4>}	124.5340	0.692	2	124.5340	0.478	2	124.5340	0.478	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6]-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	124.0380	0.052	2	124.0380	0.003	2	124.0380	0.003	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Si-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C(N[5]C[5,6a]C[5])(SiC3)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SiC3)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	126.3605	0.062	2	126.3605	0.004	2	125.7614	0.433	5	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Si-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C(N[5]C[5,6a]C[5])(SiC3)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|Co<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SiC3)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(H){2|C<3>}	125.5740	0.511	2	125.5740	0.261	2	125.7614	0.433	5	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Si-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C(N[5]C[5,6a]C[5])(SiC[6a]CC)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SiC[6a]CC)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	124.9380	0.000	1	124.9380	0.000	1	125.7614	0.433	5	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:Cl-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CClCH)	C(N[5]C[5]2)(CCHH)(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CClCH){2|C<3>}	C(N[5]C[5]2)(CCHH)(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.1335	2.983	2	124.1335	8.900	2	124.1335	8.900	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	119.8130	0.700	3	119.8130	0.489	3	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	120.5230	0.000	1	119.4607	0.757	4	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	119.1067	0.619	3	119.4607	0.757	4	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	119.3080	0.000	1	119.3080	0.000	1	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	120.8215	0.769	2	120.8215	0.591	2	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	119.5543	0.564	7	119.5543	0.319	7	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	118.1300	0.000	1	118.1300	0.000	1	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH){1|C<3>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	124.1160	0.000	1	123.3218	0.596	5	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	122.2280	0.000	1	123.3218	0.596	5	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	123.4217	0.513	3	123.3218	0.596	5	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH){1|C<3>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	122.9800	0.000	1	122.9800	0.000	1	120.5347	3.187	24	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	122.7750	0.921	2	122.7750	0.848	2	122.7750	0.848	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:	N[5](C[5]N[5,6]Ir)(C[5]C[5,6]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)	N[5](C[5]N[5,6]Ir)(C[5]C[5,6]H)(CCHH){1|C<3>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH){1|C<4>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH)	C(N[5]C[5]2)(CCHS)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHS)(H)2	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	124.3440	5.093	2	124.3440	25.934	2	124.3440	25.934	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){3|C<3>}	121.6260	0.000	1	121.6260	0.000	1	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,3|C<3>}	122.0250	0.000	1	122.0250	0.000	1	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	124.3340	0.000	1	124.3340	0.000	1	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	122.5965	1.900	2	122.5965	3.610	2	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CBrHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CBrHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.6987	1.070	6	123.6987	1.145	6	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.6220	2.710	2	123.6220	7.342	2	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9479	0.773	16	123.9479	0.597	16	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCFH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCFH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8097	0.849	6	123.8097	0.722	6	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	123.6501	3.240	8	123.6501	10.500	8	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	123.5687	0.624	4	123.9274	0.573	147	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9887	0.767	127	123.9274	0.573	147	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	123.5533	0.416	6	123.9274	0.573	147	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	123.5178	0.665	10	123.9274	0.573	147	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|N<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|O<1>}	123.1390	0.642	6	123.1390	0.413	6	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	123.4280	0.558	4	123.4280	0.312	4	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7312	1.711	6	123.7312	2.926	6	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9985	1.122	4	123.9985	1.258	4	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0513	1.046	4	124.0513	1.095	4	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9560	1.729	4	123.9560	2.990	4	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0400	0.809	16	124.0400	0.655	16	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	123.0070	0.779	2	123.5177	0.624	6	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7730	0.759	4	123.5177	0.624	6	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.3065	0.464	4	124.3065	0.215	4	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHI)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CHHI)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9955	0.264	2	123.9955	0.070	2	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8850	0.943	28	123.8850	0.890	28	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9374	0.753	29	123.9374	0.567	29	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	122.8500	0.000	1	124.0123	0.351	25	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0607	0.552	24	124.0123	0.351	25	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	125.1140	0.000	1	125.1140	0.000	1	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9879	2.127	12	123.9879	4.523	12	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9160	0.511	2	123.9160	0.261	2	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8815	1.744	2	123.8815	3.043	2	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CN[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9570	0.701	4	123.9570	0.491	4	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CPdCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CPdCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	122.3055	0.655	2	122.3055	0.430	2	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CSeCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CSeCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.1820	0.619	4	124.1820	0.383	4	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CSiHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CSiHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.1525	0.347	2	124.1525	0.121	2	123.8835	1.027	357	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	125.9240	1.135	4	125.9240	1.289	4	126.1854	1.589	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	128.3280	0.000	1	128.3280	0.000	1	126.1854	1.589	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	126.9710	0.000	1	126.9710	0.000	1	126.1854	1.589	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH){1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(Br){1|H<1>}	125.2440	0.000	2	125.2440	0.000	2	126.1854	1.589	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	125.4430	0.000	1	124.6480	0.475	3	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	124.2270	0.000	1	124.6480	0.475	3	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	124.2740	0.000	1	124.6480	0.475	3	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5]2)(CIrCH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CIrCH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	132.9393	2.026	3	132.9393	4.106	3	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	125.6005	0.356	2	125.6005	0.127	2	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	127.3775	0.486	2	127.3775	0.236	2	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pt<5>,1|C<4>}	124.0300	0.165	2	124.0300	0.027	2	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	124.8730	0.300	2	124.8730	0.090	2	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	124.9330	0.000	1	124.9330	0.000	1	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH){1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<6>,1|C<4>}	123.6975	0.982	2	123.6975	0.965	2	126.4031	11.497	17	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|F<1>,1|H<1>,2|O<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.4580	0.933	2	123.4580	0.871	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	120.6370	0.000	1	120.6370	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<3>}	123.2627	1.916	4	123.2627	3.670	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	125.0745	0.039	2	125.0745	0.002	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	126.1340	0.000	1	126.1340	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	123.4040	0.000	1	124.7880	1.388	49	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.0830	1.093	23	124.7880	1.388	49	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<4>}	125.6420	0.000	1	124.7880	1.388	49	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	125.5119	0.933	10	124.7880	1.388	49	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<3>}	126.1300	0.819	3	124.7880	1.388	49	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.2862	0.608	11	124.7880	1.388	49	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Rh<6>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H){2|C<4>}	124.4890	0.052	2	124.4890	0.003	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	123.0270	0.349	2	123.0270	0.122	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	126.7840	1.945	5	126.7840	3.783	5	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.4377	0.756	14	124.1153	0.903	18	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	122.9868	0.674	4	124.1153	0.903	18	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	123.0070	0.000	1	124.0550	2.197	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<3>}	125.1030	0.000	1	124.0550	2.197	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.0217	0.900	7	124.5583	1.818	9	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	126.4365	0.784	2	124.5583	1.818	9	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	125.5747	0.741	6	125.5747	0.549	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ir<7>,1|C<4>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H){2|C<4>}	124.0050	0.228	2	124.0050	0.052	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.4177	1.268	6	125.4177	1.608	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.5420	0.372	2	125.7808	0.143	5	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.9400	0.348	3	125.7808	0.143	5	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<8>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Mo<8>,1|H<1>}	126.6150	0.000	1	126.6150	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	124.7720	0.000	1	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.0169	0.735	20	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.0462	1.866	245	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<4>,1|H<1>}	127.1103	0.300	3	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	127.0923	1.093	3	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	126.7980	0.124	2	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	126.7696	0.783	11	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|H<1>}	126.9190	0.000	1	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|H<1>}	127.4762	0.658	6	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	126.1890	0.000	2	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	126.7607	1.008	6	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Hg<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Hg<4>,1|H<1>}	126.7560	0.000	1	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|H<1>}	126.6380	0.000	1	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	127.5710	0.000	1	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|H<1>}	125.8526	1.215	8	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	126.4066	0.521	7	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	126.7018	0.712	5	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<5>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<5>,1|H<1>}	125.3510	0.000	1	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	126.1779	1.582	81	126.1574	2.783	405	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.9910	0.662	2	125.9910	0.438	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.8310	1.090	2	125.8310	1.189	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]CO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.0610	0.714	4	127.0610	0.510	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	127.1500	0.000	1	126.2960	1.459	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.4420	0.000	1	126.2960	1.459	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	127.8000	0.000	1	125.9979	0.711	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	125.6975	0.309	6	125.9979	0.711	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CClHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CClHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	124.9260	0.000	1	124.9260	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|C<4>}	C(N[5]C[5]2)(CF3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.4130	0.000	1	126.4130	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	125.7550	1.601	2	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.0397	0.884	6	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.8116	2.086	173	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	127.7075	0.473	4	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	125.6180	0.000	1	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	127.2937	0.672	3	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	125.4650	0.922	4	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	126.2320	0.356	2	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mg<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mg<6>,1|H<1>}	127.2543	0.828	3	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|H<1>}	127.2405	0.784	4	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	126.3445	0.619	2	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<6>,1|H<1>}	127.2813	0.616	3	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	126.7600	0.623	6	125.9701	3.816	213	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.8683	0.766	3	125.9223	0.480	23	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.9867	0.718	18	125.9223	0.480	23	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	125.4235	0.197	2	125.9223	0.480	23	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.1238	1.307	4	125.8861	4.764	33	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.3848	2.575	20	125.8861	4.764	33	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|H<1>}	126.9997	1.102	6	125.8861	4.764	33	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	126.9705	0.419	2	125.8861	4.764	33	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	126.1120	0.000	1	125.8861	4.764	33	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.3995	0.991	2	126.3995	0.981	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|N<3>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.1170	0.000	1	125.1170	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	124.7710	1.298	2	125.8900	0.505	27	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.9796	0.604	25	125.8900	0.505	27	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.1790	0.000	1	126.1790	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COPP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(COPP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	126.1948	0.966	6	126.1948	0.934	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CPtCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CPtCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.2990	0.000	1	127.2990	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CSeHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CSeHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.9430	0.000	1	126.9430	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|I<1>}	124.2876	0.753	8	124.2876	0.567	8	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<3>}	123.4640	0.000	1	123.4640	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	125.8650	0.000	1	125.8650	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<3>}	124.4047	1.685	3	124.4047	2.838	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	125.8390	0.000	1	125.8390	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	124.0360	0.000	1	122.8457	2.173	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	122.4490	1.522	3	122.8457	2.173	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|Fe<5>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<5>,1|P<3>}	125.3307	0.336	3	125.3307	0.113	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	124.8905	0.305	2	125.4861	0.486	13	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	125.0060	0.557	2	125.4861	0.486	13	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.5080	0.769	2	125.4861	0.486	13	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	125.7871	0.710	7	125.4861	0.486	13	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.7960	0.000	1	125.7960	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	124.5286	0.637	9	124.9120	0.681	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.1068	0.306	6	124.9120	0.681	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	124.9059	1.085	8	124.9120	0.681	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	126.0775	0.333	2	124.9120	0.681	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CIrCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CIrCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	124.7143	2.619	6	124.7143	6.861	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.9340	0.000	1	124.8446	10.543	5	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	124.5722	3.683	4	124.8446	10.543	5	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CPdCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CPdCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	126.1475	1.269	2	126.1475	1.611	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]U)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]U)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|U<8>}	122.1315	4.907	2	122.1315	24.075	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH){1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(H){1|C<4>}	120.2520	0.000	1	120.2520	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]I)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH){1|I<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]I)(N[5]C[5]C)(H){1|S<1>}	121.5585	0.108	2	121.5585	0.012	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	125.9855	1.621	2	124.7596	1.163	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.2690	0.000	1	124.7596	1.163	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	124.2692	0.218	4	124.7596	1.163	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.9101	0.967	10	124.8089	0.684	14	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	124.5558	0.192	4	124.8089	0.684	14	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.8490	0.000	1	124.0177	0.740	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<3>}	123.1310	0.000	1	124.0177	0.740	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.0730	0.000	1	124.0177	0.740	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH){1|Rh<6>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.2145	0.909	2	124.2145	0.826	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<3>}	124.9150	0.028	2	124.9150	0.001	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<3>}	124.4030	0.000	1	124.4030	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<5>,1|B<4>}	120.9090	4.967	2	121.8190	14.818	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	123.6390	0.000	1	121.8190	14.818	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	123.8075	0.562	2	123.8075	0.316	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<3>}	122.8108	2.115	18	122.7068	4.645	21	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	122.0827	2.780	3	122.7068	4.645	21	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<3>}	121.7620	0.000	1	121.7620	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<7>,1|C<3>}	123.1460	0.069	2	123.0207	1.536	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<3>}	122.8955	2.131	2	123.0207	1.536	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	121.7700	0.000	1	121.7700	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<3>}	128.5780	0.000	1	128.5780	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	124.8670	0.000	1	123.8733	0.982	12	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	123.5440	0.883	3	123.8733	0.982	12	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	124.3625	0.454	6	123.8733	0.982	12	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	121.6470	0.000	1	123.8733	0.982	12	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	123.1590	0.000	1	123.8733	0.982	12	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	125.7760	1.139	4	125.2277	1.570	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	124.1310	0.588	2	125.2277	1.570	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	124.1070	0.000	1	124.1070	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	125.1800	0.000	1	125.6560	0.178	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	125.8147	0.341	3	125.6560	0.178	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	122.4205	0.218	2	121.8263	0.543	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	120.9420	0.000	1	121.8263	0.543	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	121.5220	0.000	1	121.8263	0.543	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	124.8005	0.848	2	123.1368	4.475	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	121.4730	1.278	2	123.1368	4.475	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	121.4013	0.441	6	121.6264	0.517	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	122.9770	0.000	1	121.6264	0.517	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	121.0500	0.000	1	121.0500	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|B<4>}	122.7465	5.147	4	121.3192	13.744	35	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|B<4>}	120.5470	5.358	4	121.3192	13.744	35	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|B<4>}	122.2845	3.066	4	121.3192	13.744	35	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	123.0010	1.520	2	121.3192	13.744	35	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	123.1500	0.000	1	121.3192	13.744	35	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	121.3567	3.745	12	121.3192	13.744	35	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	119.8035	3.279	8	121.3192	13.744	35	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ho)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ho)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ho<14>,1|C<3>}	124.8870	0.000	1	124.8870	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<4>,1|C<4>}	121.9570	0.000	1	123.1063	1.080	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<5>,1|C<4>}	123.6810	0.423	2	123.1063	1.080	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	123.8870	1.443	4	123.8870	2.083	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	124.8997	1.760	14	123.3895	4.052	58	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	124.0290	0.854	4	123.3895	4.052	58	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	123.5771	1.847	23	123.3895	4.052	58	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	121.5345	1.377	15	123.3895	4.052	58	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	122.6340	0.000	1	123.3895	4.052	58	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	123.9530	0.000	1	123.3895	4.052	58	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	125.7750	0.000	1	125.7750	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	121.7760	0.000	1	121.7760	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	123.8440	0.000	1	123.3570	1.257	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	123.1947	1.314	3	123.3570	1.257	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	120.2303	1.455	3	120.2303	2.118	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	124.6390	1.616	4	124.6390	2.610	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	125.1690	0.000	1	125.1690	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	122.9518	0.227	4	122.9518	0.052	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CIrCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CIrCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	134.1935	1.107	4	134.1935	1.224	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	122.4050	0.000	1	123.0610	3.363	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	123.0555	3.036	2	123.0610	3.363	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	123.7280	0.000	1	123.0610	3.363	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Li)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Li)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Li<4>,1|C<3>}	123.7030	0.645	2	123.7030	0.416	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<9>,1|C<3>}	123.3180	0.000	1	123.3180	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<3>}	123.0943	1.181	3	123.0943	1.395	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<4>,1|C<3>}	123.3032	0.368	5	121.9353	4.132	15	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<5>,1|C<3>}	124.2330	0.000	1	121.9353	4.132	15	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<3>}	120.9201	2.043	9	121.9353	4.132	15	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	121.8265	0.158	2	122.0553	0.170	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	122.5130	0.000	1	122.0553	0.170	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<10>,1|C<4>}	122.6870	0.000	1	122.6870	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	124.1428	1.908	4	123.8629	2.016	19	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<3>}	124.1999	1.298	9	123.8629	2.016	19	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	122.9582	1.257	5	123.8629	2.016	19	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	124.2350	0.000	1	123.8629	2.016	19	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	124.9380	0.310	3	124.9380	0.096	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	124.1997	2.219	4	123.8036	4.479	5	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	122.2190	0.000	1	123.8036	4.479	5	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	124.4865	0.777	12	124.4614	0.562	13	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	124.1600	0.000	1	124.4614	0.562	13	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	123.8100	0.000	1	126.0464	1.068	9	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	126.3260	0.645	8	126.0464	1.068	9	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	125.5410	0.000	1	125.2070	1.060	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<3>}	126.0280	0.000	1	125.2070	1.060	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	124.0520	0.000	1	125.2070	1.060	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<9>,1|C<3>}	123.5750	0.000	1	123.5750	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	123.7960	0.000	1	124.3330	0.577	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<6>,1|C<4>}	124.8700	0.000	1	124.3330	0.577	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.4305	1.230	14	123.9156	1.712	81	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	124.0164	1.320	66	123.9156	1.712	81	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|Pd<4>}	124.0520	0.000	1	123.9156	1.712	81	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	127.0007	0.176	8	127.0007	0.031	8	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.6083	0.240	3	124.0472	0.692	14	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	123.8942	0.876	11	124.0472	0.692	14	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.6290	0.631	2	125.1515	4.220	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	126.6740	1.730	2	125.1515	4.220	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.5645	0.371	4	124.7998	0.298	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	125.2705	0.643	2	124.7998	0.298	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.8530	0.000	1	125.1777	4.250	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	125.3985	2.166	6	125.1777	4.250	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	125.4202	0.860	5	125.4435	0.386	14	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	125.4564	0.507	9	125.4435	0.386	14	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|B<4>}	122.2980	4.643	2	122.8140	17.855	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	123.0720	4.723	4	122.8140	17.855	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CSeHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CSeHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	125.9315	0.136	2	125.9315	0.019	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	123.7475	0.824	4	123.9760	0.352	21	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	124.0297	0.545	17	123.9760	0.352	21	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	123.4628	3.805	10	123.4628	14.479	10	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	122.3077	0.513	3	121.3939	1.153	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	120.7085	0.818	4	121.3939	1.153	7	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	123.9887	1.268	3	123.9887	1.609	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	121.8725	0.810	2	121.1345	9.086	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	120.3965	4.942	2	121.1345	9.086	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CReCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CReCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	129.0050	0.000	1	129.0050	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	126.0757	1.474	3	126.0757	2.172	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	123.4260	0.000	1	123.3053	2.024	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	124.3485	0.565	2	123.3053	2.024	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	124.3370	0.877	4	123.3053	2.024	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	123.4284	1.494	12	123.3053	2.024	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	122.0033	0.958	6	123.3053	2.024	25	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	122.4900	0.000	1	122.4900	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	124.9420	0.000	1	124.9420	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	123.7180	0.000	1	123.7180	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	122.5513	2.375	3	123.5398	4.068	16	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	124.2430	1.056	6	123.5398	4.068	16	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	123.3607	2.518	7	123.5398	4.068	16	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	122.8390	0.000	1	122.8390	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CRhCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRhCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	130.1143	0.345	3	130.1143	0.119	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	120.9090	0.000	1	122.7929	2.885	34	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	123.9988	1.146	16	122.7929	2.885	34	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	123.2730	0.000	1	122.7929	2.885	34	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	121.8440	2.343	4	122.7929	2.885	34	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	122.5195	0.114	2	122.7929	2.885	34	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	121.4382	1.046	10	122.7929	2.885	34	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]Ru2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[5]Ru2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	128.8975	0.641	4	128.8975	0.411	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	123.4490	0.000	1	123.4490	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	122.3685	2.609	2	122.7280	3.790	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	123.4470	0.000	1	122.7280	3.790	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	122.2747	0.871	4	122.2747	0.758	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	124.3970	0.000	1	123.9742	0.421	8	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	123.7336	0.605	5	123.9742	0.421	8	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	124.3645	0.845	2	123.9742	0.421	8	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	126.6585	0.057	2	123.1578	2.813	28	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	123.8488	0.760	6	123.1578	2.813	28	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	123.2655	0.780	6	123.1578	2.813	28	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	122.1956	1.693	10	123.1578	2.813	28	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<8>,1|C<4>}	123.7130	0.000	1	123.1578	2.813	28	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	122.2490	1.541	3	123.1578	2.813	28	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	122.0200	0.000	1	124.3160	10.543	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	126.6120	0.000	1	124.3160	10.543	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	121.9930	0.000	1	123.3502	0.899	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	123.8027	0.347	3	123.3502	0.899	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	120.5012	2.646	4	120.7462	4.346	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	121.2360	0.076	2	120.7462	4.346	6	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CRuCC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRuCC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	129.9896	0.440	5	129.9896	0.194	5	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CRuCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CRuCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	129.4670	0.000	1	129.4370	0.628	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CRuCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRuCH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	129.4220	1.120	2	129.4370	0.628	3	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	125.1017	0.981	6	125.0143	1.094	10	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	124.8833	1.281	4	125.0143	1.094	10	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	124.2728	1.522	4	124.2728	2.315	4	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ta<7>,1|C<4>}	127.6050	0.000	1	127.6050	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CTaHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CTaHN)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ta<7>,1|C<4>}	130.1760	0.000	1	130.1760	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<6>,1|C<3>}	123.5785	0.701	2	123.5785	0.491	2	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Zn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Zn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<3>}	123.6530	0.000	1	123.6530	0.000	1	124.9416	5.226	1595	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]I)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]I)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	127.5800	0.000	1	127.5800	0.000	1	126.0225	1.826	4	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]I)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]I)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	126.6340	0.000	1	126.6340	0.000	1	126.0225	1.826	4	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH){1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(I){1|H<1>}	125.3410	0.000	1	125.3410	0.000	1	126.0225	1.826	4	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]I)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH){1|I<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]I)(N[5]C[5]C)(I){1|S<1>}	124.5350	0.000	1	124.5350	0.000	1	126.0225	1.826	4	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>}	121.1180	0.000	1	121.1180	0.000	1	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>}	122.9462	0.428	4	122.9462	0.184	4	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH){1|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|H<1>}	125.4640	0.000	1	125.4640	0.000	1	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	125.4100	0.000	1	125.4100	0.000	1	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	125.8420	0.000	1	125.8420	0.000	1	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|S<2>}	124.7500	0.000	1	124.7500	0.000	1	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	121.9350	0.000	1	121.9350	0.000	1	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.8590	0.041	2	124.8590	0.002	2	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]Br)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){2|Br<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]Br)(N[5]C[5]C)(O){1|Br<1>,1|O<1>}	124.4165	1.200	2	124.4165	1.440	2	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	125.0060	0.246	3	124.7963	0.080	7	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	124.6390	0.208	4	124.7963	0.080	7	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	125.2820	0.309	3	125.2820	0.095	3	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.6148	0.594	4	124.6148	0.353	4	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	124.7575	0.377	2	124.7575	0.142	2	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	124.6980	0.000	1	124.6980	0.000	1	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	124.2920	0.000	1	124.2920	0.000	1	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.7390	1.747	2	124.7390	3.050	2	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	124.8435	0.405	2	124.8435	0.164	2	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.7520	0.204	2	124.7520	0.041	2	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	124.7912	0.788	12	124.7912	0.620	12	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|N<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	125.0242	0.762	4	125.0242	0.581	4	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|N<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	124.9290	0.412	4	124.9290	0.170	4	124.6072	0.932	58	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|S<2>,2|C<3>}	120.6790	0.430	4	120.6790	0.185	4	121.7873	0.498	18	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	121.9376	0.363	5	121.9376	0.132	5	121.7873	0.498	18	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	122.5100	0.000	1	122.5100	0.000	1	121.7873	0.498	18	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	122.1573	0.326	8	122.1573	0.106	8	121.7873	0.498	18	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	122.0050	0.000	1	122.0050	0.000	1	122.7120	1.000	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.4190	0.000	1	123.4190	0.000	1	122.7120	1.000	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.7360	0.000	1	123.7360	0.000	1	123.7360	0.000	1	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Br-1:	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(Br){2|Br<1>}	125.8528	0.761	4	125.8528	0.580	4	125.8528	0.580	4	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H){2|Br<1>}	123.8340	0.000	1	123.8340	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H){2|Br<1>}	125.2900	0.000	1	125.2900	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H){2|C<4>}	124.7625	0.124	2	124.7625	0.015	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CF3)(H)2	C[5](N[5]C[5]C)2(H){1|C<4>,1|H<1>}	122.9110	0.000	1	122.9110	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H){2|C<4>}	126.9035	0.118	2	126.9035	0.014	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	126.0968	0.899	6	126.0968	0.808	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.5460	0.256	3	125.5460	0.066	3	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	126.0070	0.464	2	126.0070	0.215	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]2)(N[5]C[5]C)(H){1|Fe<10>,2|C<4>,2|H<1>}	124.6530	0.000	1	124.6530	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	125.7860	0.000	1	125.7860	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	125.6278	1.700	81	125.6278	2.889	81	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.6063	1.556	244	125.6063	2.422	244	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	125.5370	0.000	1	125.7603	0.037	3	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){2|H<1>,2|N<2>}	125.8720	0.000	2	125.7603	0.037	3	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H){2|H<1>}	126.1850	0.521	3	126.2217	0.503	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H){2|H<1>}	126.2583	0.991	3	126.2217	0.503	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.4255	1.224	2	126.0727	0.703	13	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.0085	0.815	11	126.0727	0.703	13	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	126.7810	0.000	1	125.6673	1.465	9	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	125.0902	1.070	6	125.6673	1.465	9	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	126.8420	0.000	2	125.6673	1.465	9	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H){2|H<1>}	126.0307	1.176	6	126.0307	1.382	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Hg)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Hg<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Hg)(N[5]C[5]C)(H){2|H<1>}	126.0610	0.000	1	126.0610	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<8>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Mo)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.6830	0.000	1	125.6830	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Pd)(N[5]C[5]C)(H){2|H<1>}	124.9690	0.000	1	124.9690	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H){2|H<1>}	124.9800	0.000	1	124.9800	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H){2|H<1>}	126.5554	1.282	8	126.3261	1.236	15	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H){2|H<1>}	126.0640	0.904	7	126.3261	1.236	15	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	126.1970	0.582	5	126.4782	0.745	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<5>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	127.8840	0.000	1	126.4782	0.745	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	126.7420	0.000	1	125.1249	0.778	17	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.0238	0.803	16	125.1249	0.778	17	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.7575	0.897	2	125.7575	0.805	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	126.1210	0.082	2	126.1210	0.007	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]CO)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	123.9875	0.114	4	123.9875	0.013	4	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.6350	0.000	1	125.6350	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.0260	0.000	1	124.0260	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CC[6a]HO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	126.2805	1.163	6	126.2805	1.353	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HO)(H)2	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H){2|H<1>}	125.0660	0.000	1	125.0660	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CClHH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CClHH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	126.5690	0.000	1	126.5690	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|C<4>}	C(N[5]C[5]2)(CF3)(H)2	C[5](N[5]C[5]C)2(H){1|C<4>,1|H<1>}	124.6800	0.000	1	124.6800	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]B[5a]C[5])(N[5]C[5]C)(H){1|C<3>,2|H<1>,2|O<2>}	126.7260	1.256	2	126.7260	1.577	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[3x6]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[3x6]C[5])(N[5]C[5]C)(H){2|H<1>,3|C<4>}	125.0275	1.189	2	125.0275	1.413	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	125.1657	0.778	6	125.1657	0.606	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.0300	0.000	1	125.9292	4.186	172	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.9403	2.047	171	125.9292	4.186	172	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Cd)(N[5]C[5]C)(H){2|H<1>}	125.7308	0.493	4	125.7308	0.243	4	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.5650	0.000	1	125.8930	0.758	4	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	125.6690	0.915	3	125.8930	0.758	4	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(H){2|H<1>}	126.8825	0.429	4	126.8825	0.184	4	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H){2|H<1>}	126.0055	0.015	2	126.0055	0.000	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Mg)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mg<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Mg)(N[5]C[5]C)(H){2|H<1>}	125.7917	0.993	3	125.7917	0.987	3	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(H){2|H<1>}	125.7450	0.738	4	125.7450	0.544	4	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	125.9695	0.422	2	125.8222	0.295	5	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	125.7240	0.682	3	125.8222	0.295	5	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.4454	0.708	5	125.4454	0.501	5	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	125.6965	0.950	2	125.6965	0.902	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.4188	0.833	18	125.4188	0.694	18	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.0737	0.721	3	125.0737	0.519	3	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	124.8250	0.000	1	124.8250	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.9622	2.203	20	125.9622	4.852	20	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Pt)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Pt)(N[5]C[5]C)(H){2|H<1>}	125.8015	0.409	6	125.8015	0.167	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Zn)(N[5]C[5]C)(H){2|H<1>}	125.8830	0.386	2	125.8830	0.149	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.9832	1.235	4	124.9832	1.524	4	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.7530	1.106	2	124.7530	1.223	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|N<3>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](N[5]C[5]C)2(H){1|H<1>,1|N<3>}	126.0620	0.000	1	126.0620	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.2934	0.917	25	125.2934	0.840	25	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.6895	0.483	2	125.6895	0.233	2	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.8970	0.000	1	124.8970	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COPP)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(N[5]C[5]2)(COPP)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	125.2005	0.901	6	125.2005	0.812	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CPtCH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CPtCH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.1810	0.000	1	125.1810	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CSeHH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CSeHH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.2060	0.000	1	124.2060	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H){2|I<1>}	124.3910	0.000	1	124.3910	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(H){2|I<1>}	125.4820	0.000	1	125.4820	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(H){1|Ir<8>,1|H<1>}	122.1890	0.000	1	122.1890	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Ru<7>,1|H<1>,2|C<3>}	121.2560	0.000	1	121.2560	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]N[5]Co)(N[5]C[5]C)(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH){1|Co<6>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]N[5]Co)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	126.8800	0.000	1	126.8800	0.000	1	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]N[5]Zn)(N[5]C[5]C)(H)	N[5](C[5]N[5]H)2(CCHH){1|Zn<4>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]N[5]Zn)(N[5]C[5]C)(H){1|H<1>}	127.3555	0.591	6	127.3555	0.349	6	125.6987	2.518	762	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(I)	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(I){2|H<1>}	126.4340	0.628	8	126.4340	0.394	8	126.4340	0.394	8	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5,6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	123.1475	0.728	2	123.1475	0.529	2	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	121.0953	0.495	3	121.0953	0.245	3	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	121.4165	1.088	2	121.4165	1.184	2	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){2|O<1>}	123.6670	0.000	1	122.2762	13.562	5	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<3>}	124.0037	0.278	3	122.2762	13.562	5	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<4>}	115.7030	0.000	1	122.2762	13.562	5	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]N)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|N<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]N)(O){1|O<1>,2|H<1>}	122.4590	0.000	1	122.4590	0.000	1	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>}	124.1410	0.000	1	124.1410	0.000	1	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	122.6860	0.000	1	122.6860	0.000	1	122.2054	4.803	15	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){4|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|C<4>}	120.8770	0.058	2	120.8770	0.003	2	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	121.5630	0.000	1	121.5630	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S){1|C<3>,1|S<2>}	124.1130	0.000	1	124.1130	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.6810	0.212	2	124.6082	0.247	4	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.5355	0.822	2	124.6082	0.247	4	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHN)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHN)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	123.7630	0.000	1	123.7630	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.9370	0.297	6	124.9370	0.088	6	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.4060	0.000	1	124.4060	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|N<3>,1|O<1>}	124.8135	0.125	2	124.8135	0.016	2	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|O<2>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S){1|C<4>,1|O<1>,1|O<2>}	124.6520	0.358	2	124.6520	0.128	2	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](N[5]C[5]C)2(S){1|C<4>,1|H<1>,1|O<1>}	123.0190	0.000	1	123.0190	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|C<3>}	125.7460	0.000	1	125.7460	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S){2|P<4>}	121.2030	0.000	1	121.2030	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S){1|C<3>,1|S<2>}	123.8715	0.125	2	124.5662	0.657	4	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S){2|S<2>}	125.2610	0.153	2	124.5662	0.657	4	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(S){2|S<2>}	124.6425	0.064	2	124.6425	0.004	2	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<3>}	125.1620	0.000	1	125.1620	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]B)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]B)(S){1|C<4>}	125.5260	0.979	6	125.5260	0.958	6	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(S){1|C<4>}	124.3770	0.000	1	124.3770	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S)	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH){1|Co<6>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(S){1|Co<6>,1|H<1>}	125.1340	0.000	1	125.1340	0.000	1	124.4193	1.803	38	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(Se){2|H<1>}	125.4542	0.843	6	125.4542	0.711	6	125.4542	0.711	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CHHN)	C(N[5]C[5]2)(NFeCC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CHHN){1|C<3>,1|H<1>}	C(N[5]C[5]2)(NFeCC)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	127.4550	1.025	3	127.4550	1.050	3	127.4550	1.050	3	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CHHP)	C(N[5]C[5]2)(PCOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHP){2|C<3>}	C(N[5]C[5]2)(PCOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0260	0.730	2	124.0260	0.533	2	124.0330	0.266	3	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CHHP)	C(N[5]C[5]2)(PO3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHP){2|C<3>}	C(N[5]C[5]2)(PO3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0470	0.000	1	124.0470	0.000	1	124.0330	0.266	3	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS)	C(N[5]C[5]2)(SO3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS){1|C<3>,1|H<1>}	C(N[5]C[5]2)(SO3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	126.7445	0.954	2	126.7445	0.910	2	124.8707	6.140	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHS)	C(N[5]C[5]2)(SO3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	C(N[5]C[5]2)(SO3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	124.9860	0.000	1	124.9860	0.000	1	124.8707	6.140	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C(N[5]C[5]2)(SO3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	C(N[5]C[5]2)(SO3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	127.0180	0.000	1	127.0180	0.000	1	124.8707	6.140	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHS)	C(N[5]C[5]2)(SO3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	C(N[5]C[5]2)(SO3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	121.8655	0.285	2	121.8655	0.081	2	124.8707	6.140	6	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:S-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS)	C(N[5]C[5]2)(SO3)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS){1|C<3>,1|H<1>}	C(N[5]C[5]2)(SO3)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	124.1595	1.271	2	124.1595	1.615	2	124.1595	1.615	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(H){2|H<1>}	129.8020	0.969	2	129.8020	0.938	2	129.8020	0.938	2	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ag<4>,1|C<3>}	127.9245	0.145	2	127.9245	0.021	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<5>,1|H<1>}	127.4410	0.000	1	127.6507	2.113	15	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	127.5630	0.925	2	127.6507	2.113	15	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<7>,1|H<1>}	127.6827	1.614	12	127.6507	2.113	15	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	127.1060	0.402	2	127.1060	0.161	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|C<4>}	127.4860	0.156	2	127.4860	0.024	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<4>,1|H<1>}	127.7540	0.000	1	127.7540	0.000	1	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|C<3>}	127.8330	0.000	1	127.8330	0.000	1	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<4>,1|H<1>}	126.2340	0.000	1	126.4720	0.113	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	126.7100	0.000	1	126.4720	0.113	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|C<3>}	129.9270	0.485	2	129.9270	0.235	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mo<6>,1|C<3>}	127.1235	0.187	2	127.1235	0.035	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|C<3>}	126.3192	1.107	6	126.4267	1.103	7	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<4>,1|H<1>}	127.0720	0.000	1	126.4267	1.103	7	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Os)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Os<6>,1|H<1>}	126.4393	1.036	8	126.4393	1.073	8	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C[5](C[5]C[5]Br)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	C(N[5]C[5]N[5])(CHHS)(H)2	C[5](C[5]C[5]Br)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	128.9667	2.255	3	128.9667	5.086	3	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CSeHH)(H)2	C[5](C[5]C[5]Br)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	C(N[5]C[5]N[5])(CSeHH)(H)2	C[5](C[5]C[5]Br)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	127.7893	1.134	3	127.7893	1.286	3	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|C<3>}	126.6633	0.913	4	126.6633	0.833	4	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|H<1>}	127.3850	0.000	1	127.3850	0.000	1	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	126.1460	0.083	2	126.3767	0.163	3	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	126.8380	0.000	1	126.3767	0.163	3	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C[5](C[5]C[5]Br)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	C(N[5]C[5]N[5])(CHHS)(H)2	C[5](C[5]C[5]Br)(N[5]N[5]C)(H){1|Rh<8>,1|H<1>}	126.6500	0.000	1	126.6500	0.000	1	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	130.2385	0.197	2	130.2385	0.039	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CSeHH)(H)2	C[5](C[5]C[5]Br)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	C(N[5]C[5]N[5])(CSeHH)(H)2	C[5](C[5]C[5]Br)(N[5]N[5]C)(H){1|Rh<8>,1|H<1>}	128.1580	0.000	1	128.1580	0.000	1	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	125.5690	0.000	1	125.5690	0.000	1	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH){2|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	125.7840	0.081	2	125.7840	0.006	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<6>,2|C<3>}	124.4600	0.000	1	124.4600	0.000	1	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|C<4>}	126.3260	0.378	2	126.3260	0.143	2	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]N[5]Zn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Zn)(C[5]C[5]H)(CCHH){1|C<3>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Zn<5>,2|C<3>}	128.0330	0.000	1	128.0330	0.000	1	127.2453	2.050	69	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN)	C(N[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN){2|H<1>}	C(N[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<5>,1|H<1>}	129.8650	1.331	2	129.5163	1.250	3	129.5163	1.250	3	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN)	C(N[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN){2|H<1>}	C(N[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	128.8190	0.000	1	129.5163	1.250	3	129.5163	1.250	3	125.0061	4.316	3306	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(SeC)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)2(SeC){2|P<2>}	125.4445	0.184	4	125.4445	0.034	4	125.4445	0.034	4	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a]){1|C<4>,4|C<3>}	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(NN){2|C<3>}	130.2900	0.000	1	130.2900	0.000	1	130.2900	0.000	1	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(SC){2|C<3>}	126.3480	0.000	1	126.3480	0.000	1	125.7230	0.477	5	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(SCu){2|C<3>}	125.5667	0.688	4	125.5667	0.473	4	125.7230	0.477	5	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(SeSe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(SeSe){2|C<3>}	127.3392	0.789	6	127.3392	0.623	6	126.4014	1.188	20	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(SeTe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(SeTe){2|C<3>}	126.4885	0.720	8	126.4885	0.519	8	126.4014	1.188	20	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	124.4775	0.013	2	124.4775	0.000	2	126.4014	1.188	20	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	125.7825	0.720	4	125.7825	0.518	4	126.4014	1.188	20	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:N-2:	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(NC)	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH){1|C<4>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(NC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	126.6680	0.000	1	126.6680	0.000	1	126.6680	0.000	1	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:N-2:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH){1|H<1>,1|O<1>,2|C<3>}	123.3700	0.000	1	123.3700	0.000	1	124.2097	3.814	3	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:N-2:	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	124.6295	2.563	2	124.6295	6.570	2	124.2097	3.814	3	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-2:	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CPdCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OPd)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CPdCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	126.7820	2.035	2	126.7820	4.141	2	126.7820	4.141	2	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-2:	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH){1|C<2>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Pd<4>,1|C<4>}	125.1410	0.068	2	125.1410	0.005	2	125.1410	0.005	2	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]N[5])(N[5]C[5]C)(SNi)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]N[5])(N[5]C[5]C)(SNi){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	126.7830	1.245	2	126.7830	1.549	2	123.9704	3.037	14	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi){1|C<4>,1|S<1>}	124.7160	0.240	2	124.7160	0.058	2	123.9704	3.037	14	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]S)(N[5]C[5]C)(SPt)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]S)(N[5]C[5]C)(SPt){1|C<4>,1|S<1>}	125.2540	0.877	2	125.2540	0.769	2	123.9704	3.037	14	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SC)	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|S<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SC){1|C<3>}	122.3740	0.000	1	122.3740	0.000	1	123.9704	3.037	14	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo){1|S<1>}	122.6440	0.371	2	122.6440	0.137	2	123.9704	3.037	14	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SNi){1|S<1>}	122.5393	0.639	3	122.5393	0.408	3	123.9704	3.037	14	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SC)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SC){1|S<1>}	124.6360	0.000	1	124.6360	0.000	1	123.9704	3.037	14	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo){1|S<1>}	122.1630	0.000	1	122.1630	0.000	1	123.9704	3.037	14	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:Se-2:	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]Se)(N[5]C[5]C)(SeMo)	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH){1|Se<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]Se)(N[5]C[5]C)(SeMo){1|S<1>}	122.6420	0.269	2	122.6420	0.072	2	122.6420	0.072	2	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	126.5650	0.000	1	126.5650	0.000	1	128.1660	5.126	2	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]O[5])	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]O[5]){1|H<1>,1|S<1>,2|C<3>}	129.7670	0.000	1	129.7670	0.000	1	128.1660	5.126	2	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(NN){2|H<1>}	124.7620	0.000	1	124.7620	0.000	1	124.7620	0.000	1	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(OCu)	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(OCu){2|H<1>}	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(PC[5])	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(PC[5]){2|C<4>}	124.9430	0.778	4	124.9430	0.605	4	124.9430	0.605	4	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(SC)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(SC){2|H<1>}	126.2580	0.000	1	126.2580	0.000	1	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(SIr){2|H<1>}	125.6405	0.890	4	125.6405	0.792	4	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(SPt)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(SPt){2|H<1>}	126.2890	0.543	2	126.2890	0.295	2	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SPd){2|C<3>,2|H<1>}	124.9935	0.620	2	124.9935	0.385	2	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd){2|H<1>}	125.5053	0.155	3	125.5053	0.024	3	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(SRu){2|H<1>}	126.8100	0.245	3	126.8100	0.060	3	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	125.8940	0.506	3	125.8940	0.256	3	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(SHg){2|H<1>}	125.2615	1.224	6	125.2615	1.498	6	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(SPd){2|H<1>}	126.4715	0.060	2	126.4715	0.004	2	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CIrCH)(H)2	C[5](N[5]C[5]C)2(SIr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CIrCH)(H)2	C[5](N[5]C[5]C)2(SIr){2|H<1>}	126.0930	2.547	6	126.0930	6.485	6	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(SC[5])	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(SC[5]){2|H<1>}	127.2835	5.963	2	127.2835	35.558	2	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(SRh){2|H<1>}	124.9630	3.578	2	124.9630	12.802	2	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CPdCH)(H)2	C[5](N[5]C[5]C)2(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CPdCH)(H)2	C[5](N[5]C[5]C)2(SPd){2|H<1>}	123.9350	0.891	2	123.9350	0.794	2	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]N[5]B)(SRh){1|C<4>}	125.5136	0.509	20	125.5136	0.259	20	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Rh)(N[5]C[5]C)(SRh)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Rh)(N[5]C[5]C)(SRh){1|C<4>}	126.2273	0.569	3	126.8789	0.607	7	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Rh)(N[5]C[5]C)(SRh)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<6>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Rh)(N[5]C[5]C)(SRh){1|C<4>}	127.3675	0.505	4	126.8789	0.607	7	125.8134	2.070	65	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(SeHg)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(SeHg){2|H<1>}	125.3450	1.257	4	125.3450	1.581	4	125.7777	1.857	8	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(SeIr)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(SeIr){2|H<1>}	126.6265	2.461	2	126.6265	6.059	2	125.7777	1.857	8	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(SeTe)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(SeTe){2|H<1>}	125.7945	0.080	2	125.7945	0.006	2	125.7777	1.857	8	125.6363	2.590	136	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	128.3930	0.000	1	128.3930	0.000	1	128.3930	0.000	1	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H){2|C<3>}	125.0800	0.528	2	125.0800	0.278	2	125.0800	0.278	2	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|Pd<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]N[5,6a]Pd)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	128.5520	1.810	2	128.5520	3.277	2	128.5520	3.277	2	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|N<2>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]C)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	127.0070	0.000	1	127.0070	0.000	1	127.0070	0.000	1	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.1450	0.103	2	128.1450	0.011	2	129.4792	1.005	9	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.7300	0.585	4	129.7300	0.342	4	129.4792	1.005	9	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.0310	0.000	1	129.0310	0.000	1	129.4792	1.005	9	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	130.5360	0.868	2	130.5360	0.754	2	129.4792	1.005	9	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(CSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(CSS){2|C<3>}	125.8980	0.956	2	125.8980	0.914	2	126.0695	0.508	11	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5](N[5]C[5,6a]C)2(CSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5](N[5]C[5,6a]C)2(CSS){2|C<3>}	125.6912	0.248	4	125.6912	0.061	4	126.0695	0.508	11	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH){2|C<3>}	127.2440	0.000	1	127.2440	0.000	1	126.0695	0.508	11	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	126.1490	0.000	1	126.1490	0.000	1	126.0695	0.508	11	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)2(CSS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)2(CSS){2|C<3>}	126.7845	0.506	2	126.7845	0.256	2	126.0695	0.508	11	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	125.2420	0.000	1	125.2420	0.000	1	126.0695	0.508	11	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2){2|H<1>,4|C<3>}	127.7370	0.000	1	127.7370	0.000	1	127.7370	0.000	1	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	130.4950	0.000	1	130.4950	0.000	1	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<3>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	128.2300	0.820	2	127.9655	0.352	4	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	127.7010	0.320	2	127.9655	0.352	4	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	128.3038	0.670	4	128.4030	0.482	6	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<8>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	128.6015	0.972	2	128.4030	0.482	6	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Os<9>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Os)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	128.0760	0.000	1	128.0760	0.000	1	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	127.5197	0.363	3	127.5197	0.132	3	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ru<9>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	129.4220	0.000	1	129.4220	0.000	1	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Te)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Te<3>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Te)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	128.4995	1.032	2	128.4995	1.064	2	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	127.9950	0.361	4	127.9950	0.130	4	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Zn<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	128.2795	2.628	2	128.2795	6.908	2	128.2654	0.912	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6]-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[5](N[5]C[5,6a]C)2(CNS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	125.4800	0.000	1	125.4800	0.000	1	125.4800	0.000	1	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	128.6933	0.477	3	128.6933	0.228	3	128.8502	0.483	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	128.4150	0.000	1	128.4150	0.000	1	128.8502	0.483	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	129.0243	1.101	3	129.0243	1.212	3	128.8502	0.483	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	129.2340	0.000	1	129.2340	0.000	1	128.8502	0.483	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	127.3645	1.637	2	127.3645	2.680	2	127.7927	1.204	10	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	127.6596	0.863	7	127.6596	0.744	7	127.7927	1.204	10	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	129.5810	0.000	1	129.5810	0.000	1	127.7927	1.204	10	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	125.5370	0.000	1	125.5370	0.000	1	125.4215	0.027	2	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	125.3060	0.000	1	125.3060	0.000	1	125.4215	0.027	2	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C)	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>,2|C<4>}	126.0100	0.714	2	126.0100	0.510	2	126.0100	0.510	2	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CCHH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	123.0302	5.086	4	123.0302	25.871	4	123.6903	15.034	19	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CCHH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	123.4114	3.952	8	123.4114	15.619	8	123.6903	15.034	19	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CCHH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	123.5643	3.973	3	123.5643	15.783	3	123.6903	15.034	19	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CCHH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	125.0025	3.777	4	125.0025	14.265	4	123.6903	15.034	19	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(NCH)	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(NCH){1|C<3>,1|O<1>}	127.2970	0.000	1	127.2970	0.000	1	128.9725	1.078	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Pd<4>,1|C<4>}	128.9960	0.191	2	129.4638	0.335	6	128.9725	1.078	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pt<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Pt<4>,1|C<4>}	129.6480	0.000	2	129.4638	0.335	6	128.9725	1.078	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|C<4>,1|H<1>}	129.7475	0.985	2	129.4638	0.335	6	128.9725	1.078	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Cu<4>,1|C<4>}	127.7000	0.000	1	127.7000	0.000	1	128.9725	1.078	8	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	125.5480	1.650	2	125.5480	2.724	2	126.1516	1.221	11	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>}	126.2858	1.036	9	126.2858	1.074	9	126.1516	1.221	11	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	128.3290	0.000	1	128.3290	0.000	1	128.4605	1.705	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	126.6900	0.000	1	126.6900	0.000	1	128.4605	1.705	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	129.6880	0.000	1	129.6880	0.000	1	128.4605	1.705	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]C){2|C<3>,3|H<1>}	129.1350	0.000	1	129.1350	0.000	1	128.4605	1.705	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	124.3820	0.000	1	124.3820	0.000	1	124.3820	0.000	1	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH){1|Rh<6>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Rh<6>,2|C<3>,3|H<1>}	126.7305	1.667	2	126.7305	2.778	2	126.7305	2.778	2	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Pd)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Pd)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	128.4510	0.000	1	128.4510	0.000	1	127.6939	0.173	9	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	127.8642	0.127	4	127.8642	0.016	4	127.6939	0.173	9	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	127.3342	0.207	4	127.3342	0.043	4	127.6939	0.173	9	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(COO){2|C<4>}	124.9050	0.303	2	124.9050	0.092	2	127.1584	2.568	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C[5](N[5]C[5]C)2(CSS)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	C[5](N[5]C[5]C)2(CSS){2|H<1>}	124.8820	0.000	1	124.8820	0.000	1	127.1584	2.568	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(COO){2|H<1>}	127.2340	0.000	1	127.2340	0.000	1	127.1584	2.568	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN){2|H<1>}	127.4282	1.115	10	127.4282	1.243	10	127.1584	2.568	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ni<6>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHN){2|H<1>}	126.8443	0.506	3	126.8443	0.256	3	127.1584	2.568	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CC[5]O)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Co<6>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Co)(N[5]C[5]C)(CC[5]O){2|H<1>}	129.5215	0.552	4	129.5215	0.304	4	127.1584	2.568	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CNN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CNN){2|C<3>,2|H<1>}	124.8830	0.000	1	124.8830	0.000	1	127.1584	2.568	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN){2|H<1>}	126.0455	0.069	2	126.0455	0.005	2	127.1584	2.568	24	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NOO)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NOO){2|H<1>}	132.0080	0.000	1	132.0080	0.000	1	127.2820	10.445	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC[6a]Co)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC[6a]Co){2|C<3>,2|H<1>}	126.2135	0.120	2	126.2135	0.014	2	127.2820	10.445	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCoH)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCoH){2|C<3>,2|H<1>}	124.6930	0.000	1	124.6930	0.000	1	127.2820	10.445	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(PC[6a]2)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(PC[6a]2){2|H<1>}	126.2190	0.000	1	126.2190	0.000	1	127.0560	0.522	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(PC[5]2)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|Fe<5>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(PC[5]2){1|C<4>,1|H<1>}	127.3350	0.561	3	127.3350	0.315	3	127.0560	0.522	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-3:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(SPd2)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(SPd2){2|H<1>}	125.1015	0.968	2	125.1015	0.937	2	125.7975	0.986	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-3:	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Rh)(N[5]C[5]C)(SRh2)	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<6>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]N[5]Rh)(N[5]C[5]C)(SRh2){1|C<4>}	126.4935	0.291	2	126.4935	0.084	2	125.7975	0.986	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:P-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP)	C(N[5]C[5]2)(PHOO)(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP){1|H<1>,2|C<3>}	C(N[5]C[5]2)(PHOO)(H)2	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	124.0090	0.000	1	124.0090	0.000	1	124.0090	0.000	1	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[5]HH)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[5]HH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	127.2977	1.093	3	127.2977	1.195	3	127.5505	1.052	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(CC[5]HH)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(CC[5]HH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pt<4>,2|H<1>,3|C<3>}	128.3090	0.000	1	128.3090	0.000	1	127.5505	1.052	4	127.0708	5.322	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(N[5]C[5,6]H)(CH3)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](N[5]C[5,6]C)(N[5]C[5,6]H)(CH3){2|C<3>}	130.4890	0.000	1	130.4890	0.000	1	130.4890	0.000	1	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cu<3>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CH3){2|C<3>}	126.6315	0.795	4	126.6315	0.632	4	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCHH){2|C<3>}	124.9120	0.000	1	124.9120	0.000	1	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]C)2(CCHH){2|C<3>}	126.8510	0.000	1	126.8510	0.000	1	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]C)(CC[5]HH){2|C<3>}	126.4170	0.000	1	126.4170	0.000	1	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a]C)(CC[5]CH){2|C<3>}	127.5060	0.304	2	127.5060	0.092	2	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|As<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]As)(N[5]C[5,6a]C)(CHHN){2|C<3>}	126.1815	1.177	2	126.1815	1.386	2	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|H<1>,1|P<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]P)(CHHN){2|C<3>}	125.8393	0.145	3	125.8393	0.021	3	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Fe<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.2482	1.068	8	127.0997	0.779	12	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(CHHN){2|C<3>}	126.8025	0.128	4	127.0997	0.779	12	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<1>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	127.4840	0.000	1	126.9990	0.627	3	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ge)(N[5]C[5,6a]C)(CHHN){2|C<3>}	126.7565	0.950	2	126.9990	0.627	3	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ni<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	127.1575	0.556	2	127.1575	0.310	2	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	127.4007	0.263	3	127.4007	0.069	3	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<8>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]C)(CH3){2|C<3>}	126.7690	0.853	2	126.7690	0.727	2	126.8291	0.722	36	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|O<1>,2|H<1>}	127.5920	0.000	1	127.5920	0.000	1	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	125.5150	0.397	2	124.7890	1.367	4	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	124.0630	1.355	2	124.7890	1.367	4	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	126.2775	0.260	2	126.2775	0.067	2	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CF3)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	127.8520	0.000	1	127.8520	0.000	1	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	124.0340	0.062	2	124.0340	0.004	2	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	125.0195	0.492	4	125.0195	0.242	4	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<3>}	122.7765	0.745	2	122.7765	0.554	2	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	123.4130	0.000	1	123.4130	0.000	1	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH){1|H<1>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<3>}	123.7800	0.000	1	123.7800	0.000	1	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<2>}	122.8200	0.000	1	122.2407	0.460	3	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<4>}	121.9510	0.645	2	122.2407	0.460	3	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<6>,1|C<3>}	124.6960	0.000	1	124.6960	0.000	1	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	123.6825	0.260	4	123.6825	0.068	4	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	124.0397	0.691	12	124.0397	0.477	12	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CIrCH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CIrCH)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	128.5410	0.000	1	128.5410	0.000	1	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<8>,1|C<4>}	121.8020	0.133	2	121.8020	0.018	2	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	123.6596	1.226	14	123.4107	1.048	26	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	122.6475	0.171	4	123.4107	1.048	26	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	123.3568	0.692	8	123.4107	1.048	26	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	124.4545	0.012	2	124.4545	0.000	2	123.9479	1.999	69	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	128.1970	0.000	1	128.1970	0.000	1	128.1970	0.000	1	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](N[5]C[5]C)2(BC3){2|H<1>}	128.6870	0.000	1	128.6870	0.000	1	126.2462	3.675	5	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC[6a]3){2|C<3>,2|H<1>}	126.9415	0.592	2	126.9415	0.350	2	126.2462	3.675	5	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BH3){2|C<3>,2|H<1>}	124.3305	0.293	2	124.3305	0.086	2	126.2462	3.675	5	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(CH3){2|C<4>}	126.1345	0.777	2	126.1345	0.604	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	125.3770	0.180	2	125.3770	0.032	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCHH){2|H<1>}	126.3677	0.651	3	126.3677	0.424	3	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){2|H<1>}	125.9340	0.901	8	125.9340	0.812	8	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	126.5573	1.098	23	126.5420	1.108	25	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Rh<6>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(CH3){1|Rh<6>,1|H<1>}	126.3665	0.108	2	126.5420	1.108	25	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Cu<5>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHHN){2|H<1>}	127.0360	0.000	1	127.0360	0.000	1	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6]HH)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	128.0660	0.682	2	128.0660	0.465	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	126.9848	1.683	14	126.9848	2.833	14	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]CH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CC[5]CH){1|C<4>,1|H<1>}	127.3660	1.881	2	127.3660	3.538	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	126.8607	2.346	3	126.8607	5.505	3	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]HO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]HO){2|C<3>,2|H<1>}	127.6710	0.000	1	127.6710	0.000	1	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)2(CCCH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)2(CCCH){2|H<1>}	127.4640	0.000	1	127.4640	0.000	1	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	126.6157	0.882	6	126.6157	0.777	6	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ir<7>,1|C<4>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(CH3){1|Ir<7>,1|H<1>}	127.3375	0.192	2	127.3375	0.037	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(CIrHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(CIrHH){2|H<1>}	124.6048	0.620	6	124.6048	0.385	6	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHP)(H)2	C[5](N[5]C[5]C)2(CH3){1|Ir<7>,1|H<1>}	121.1915	0.859	2	121.1915	0.738	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(CH3){1|Ir<8>,1|H<1>}	121.0267	1.958	3	121.0267	3.833	3	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<5>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){1|N<3>}	124.2530	0.000	1	124.2530	0.000	1	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CH3){1|H<1>,1|N<3>}	123.5550	1.061	2	123.5550	1.125	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Pd)(N[5]C[5]C)(CH3){1|H<1>,1|N<3>}	124.4890	0.255	2	124.4890	0.065	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Pt)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pt<4>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]Pt)(N[5]C[5]C)(CH3){1|H<1>,1|N<3>}	123.5440	0.000	2	123.5440	0.000	2	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CH3){1|H<1>,1|N<3>}	125.4650	0.000	1	125.4650	0.000	1	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CRhCH)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRhCH)(H)2	C[5](N[5]C[5]C)2(CH3){1|Rh<6>,1|H<1>}	128.9437	1.334	4	128.9437	1.779	4	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]C)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH)	N[5](C[5]N[5]C)2(CCHH){1|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)(N[5]N[5]H)(CClHH){1|C<4>}	126.4900	0.000	1	126.4900	0.000	1	126.1164	3.711	96	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:In-4:	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(InH3)	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)2(InH3){2|H<1>}	126.6990	0.000	1	126.6990	0.000	1	126.6990	0.000	1	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	128.3300	0.000	1	128.3300	0.000	1	128.3300	0.000	1	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH)	C(N[5]C[5]N[5])(C[5]C[5]2W)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[5]C[5]2W)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<7>}	129.1870	0.000	1	129.1870	0.000	1	129.1870	0.000	1	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]V)(CHHN)	C(N[5]C[5]N[5])(NCHV)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]V)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NCHV)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|V<6>}	128.4880	2.580	2	128.4880	6.654	2	128.4880	6.654	2	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	126.3710	0.000	1	126.3710	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCdOO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCdOO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<7>,1|C<3>}	128.9920	0.000	1	128.9920	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	128.4400	0.000	1	128.4400	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Co)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	128.0875	0.175	2	128.0875	0.031	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	128.6865	0.214	2	128.6865	0.046	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	128.3000	0.968	4	128.3000	0.936	4	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	129.5710	0.000	2	128.9727	1.074	3	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	127.7760	0.000	1	128.9727	1.074	3	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<3>}	128.3950	0.571	2	128.3950	0.326	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<4>,1|C<3>}	131.1524	1.154	7	131.2283	0.727	18	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<5>,1|C<3>}	131.2766	0.657	11	131.2283	0.727	18	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Ir<4>,1|C<4>}	129.4210	0.000	1	129.4210	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<4>,1|C<4>}	129.6025	0.865	2	128.7897	2.356	3	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	127.1640	0.000	1	128.7897	2.356	3	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	127.5335	0.115	2	127.5335	0.013	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<5>,1|C<4>}	127.8900	0.202	2	127.8900	0.041	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	127.1717	0.319	3	127.1717	0.102	3	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	128.5640	0.639	2	128.5640	0.409	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.5522	1.329	20	129.5522	1.765	20	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.3172	1.087	5	129.3172	1.182	5	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHS)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.0515	0.202	6	129.0515	0.041	6	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.2530	0.000	1	129.2530	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<6>,1|C<4>}	127.7346	0.998	8	127.7346	0.996	8	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHS)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<6>,1|C<4>}	126.2660	0.000	1	126.2660	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Rh<4>,1|C<4>}	129.4010	0.000	1	129.4010	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<4>,1|C<4>}	129.8220	0.000	1	129.8220	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHP)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<7>,1|C<4>}	125.2390	0.000	1	125.2390	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	131.8055	1.876	4	131.8055	3.518	4	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	131.8277	0.557	7	131.6520	0.513	12	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<5>,1|C<3>}	131.4060	0.902	5	131.6520	0.513	12	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CCHO)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<5>,1|C<4>}	129.4020	0.068	2	129.4020	0.005	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	128.3514	0.144	5	128.3514	0.021	5	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	127.2955	0.087	2	127.2955	0.008	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH){1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]Pd)(N[5]N[5]C)(CH3){1|C<3>,1|C<4>}	129.2470	0.000	1	129.2470	0.000	1	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<2>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	127.4310	0.000	1	125.2875	9.189	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,2|N<4>,2|O<2>}	C(N[5]C[5]N[5])(CHHN)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	123.1440	0.000	1	125.2875	9.189	2	129.3905	3.290	119	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH)	C(N[5]C[5]N[5])(C[5]C[5]2Mo)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[5]C[5]2Mo)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<7>,1|C<4>}	128.4560	0.000	1	128.4560	0.000	1	128.4560	0.000	1	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CC[6]HH)	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	126.4110	0.000	1	126.4110	0.000	1	126.4110	0.000	1	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NC[6a]CdC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NC[6a]CdC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	129.8415	0.684	2	129.8415	0.468	2	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NCdCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NCdCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	129.9910	0.247	2	128.9680	0.725	8	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NCdCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NCdCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<6>,1|C<4>}	128.6270	0.667	6	128.9680	0.725	8	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Co<5>,1|C<4>}	129.3990	0.041	2	129.3990	0.002	2	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NCoCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	128.7995	1.093	17	128.7995	1.195	17	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NCrCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NCrCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	129.7170	0.325	2	129.7170	0.106	2	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NFeCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	127.7820	0.199	2	127.7820	0.040	2	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NNiCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NNiCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	129.4186	0.836	14	129.4186	0.698	14	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	C(N[5]C[5]N[5])(NPdCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(NPdCC)(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.3800	0.000	1	129.3800	0.000	1	129.0845	0.906	48	127.2380	6.776	382	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5](C[5]C[5,6]C[6a]O)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5](C[5]C[5,6]C[6a]O)(N[5]C[5,6]C)(O){2|C<3>,2|C<4>}	122.4870	0.000	1	122.4870	0.000	1	120.7610	2.236	3	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<4>,2|C<3>}	119.8980	0.058	2	119.8980	0.003	2	120.7610	2.236	3	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	122.5170	0.000	1	123.2758	0.321	4	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.6730	0.264	2	123.2758	0.321	4	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	123.2400	0.000	1	123.2758	0.321	4	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	123.4270	0.000	1	123.4270	0.000	1	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	122.8350	0.000	1	122.8350	0.000	1	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	123.6805	0.457	2	123.6805	0.209	2	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	122.9940	0.000	1	122.9940	0.000	1	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	124.1295	0.244	2	124.1295	0.060	2	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	122.7570	0.000	1	122.7570	0.000	1	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	123.1340	0.167	2	123.1340	0.028	2	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	123.1050	0.000	1	123.1410	0.004	3	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	123.2110	0.000	1	123.1410	0.004	3	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	123.1070	0.000	1	123.1410	0.004	3	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	124.1323	0.524	3	123.8607	0.478	4	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	123.0460	0.000	1	123.8607	0.478	4	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	124.1610	0.000	1	124.1610	0.000	1	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	123.1010	0.000	1	123.1010	0.000	1	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.5150	0.000	1	123.5150	0.000	1	123.4436	0.292	24	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	121.4823	0.427	3	121.4823	0.182	3	122.9560	1.642	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,2|H<1>,4|C<3>}	123.9410	0.000	1	123.9850	0.278	3	122.9560	1.642	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	124.5330	0.000	1	123.9850	0.278	3	122.9560	1.642	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	123.4810	0.000	1	123.9850	0.278	3	122.9560	1.642	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O){6|C<3>}	123.5160	0.000	1	123.5160	0.000	1	122.9560	1.642	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	122.3660	0.000	1	122.3660	0.000	1	122.9560	1.642	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	124.3200	0.000	1	124.3200	0.000	1	122.9560	1.642	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	122.4800	0.000	1	122.4800	0.000	1	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){4|C<3>}	123.9140	0.000	1	123.9140	0.000	1	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	123.7530	0.028	2	123.7530	0.001	2	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	122.6653	0.048	3	122.6653	0.002	3	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){4|C<3>}	122.5190	0.000	1	122.5190	0.000	1	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	123.0400	0.000	2	123.0400	0.000	2	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	123.4755	0.309	2	123.4755	0.095	2	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	122.6740	0.000	1	122.6740	0.000	1	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	122.9610	0.187	2	122.9610	0.035	2	123.0695	0.245	15	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	P[5]-4:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](P[5]C[5,6a]Cu2)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){2|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5](P[5]C[5,6a]Cu2)(N[5]C[5,6a]C)(H){2|C<3>}	122.1668	0.582	5	122.1668	0.338	5	122.1668	0.338	5	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[4,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[4,5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[4,5,6]C[4,5,6]C[6,6a]C[4,6])(N[5]C[5]C)(O)	N[5](C[5]C[4,5,6]O)2(CCHH){2|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[4,5,6]C[4,5,6]C[6,6a]C[4,6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	122.9055	0.325	2	122.9055	0.105	2	122.9055	0.105	2	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,3x6]-4:N[5]-3:O-1:	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.5930	0.567	2	122.5930	0.322	2	122.5930	0.322	2	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.1273	0.763	6	123.1198	1.129	10	123.2452	1.410	30	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.7490	1.484	2	123.1198	1.129	10	123.2452	1.410	30	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.4680	2.130	2	123.1198	1.129	10	123.2452	1.410	30	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.8773	1.189	4	122.8773	1.414	4	123.2452	1.410	30	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.4785	1.330	6	123.4639	2.084	8	123.2452	1.410	30	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.4200	2.397	2	123.4639	2.084	8	123.2452	1.410	30	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.4185	1.448	6	123.3671	1.527	8	123.2452	1.410	30	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.2130	0.379	2	123.3671	1.527	8	123.2452	1.410	30	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<2>,3|C<3>}	122.1510	0.000	1	122.1510	0.000	1	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<2>,3|C<3>}	120.7630	0.000	1	120.7630	0.000	1	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	125.0790	0.000	1	125.0790	0.000	1	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5]O[5]S[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|O<2>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5]O[5]S[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.7620	0.000	1	122.7620	0.000	1	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){1|H<1>,3|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	122.3070	0.000	1	122.3070	0.000	1	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){1|H<1>,3|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	124.3670	0.000	1	124.3670	0.000	1	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	122.9934	0.387	5	123.2563	0.535	6	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.5710	0.000	1	123.2563	0.535	6	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	124.0330	0.000	1	124.0330	0.000	1	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	123.0370	0.000	1	123.2628	0.249	12	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	123.2091	0.545	9	123.2628	0.249	12	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	123.6175	0.180	2	123.2628	0.249	12	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CCHH){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.5370	0.000	1	123.5370	0.000	1	123.2189	0.768	26	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	123.4175	0.279	2	123.3755	0.147	6	123.6165	0.428	10	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.2865	0.302	2	123.3755	0.147	6	123.6165	0.428	10	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.9420	0.000	1	123.3755	0.147	6	123.6165	0.428	10	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.9030	0.000	1	123.3755	0.147	6	123.6165	0.428	10	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	123.3300	0.502	2	123.3300	0.252	2	123.6165	0.428	10	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.0210	0.000	1	125.0210	0.000	1	123.6165	0.428	10	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	124.2310	0.000	1	124.2310	0.000	1	123.6165	0.428	10	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	125.9890	0.000	1	125.9890	0.000	1	124.0279	1.123	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	124.5080	0.860	2	124.5080	0.739	2	124.0279	1.123	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	123.3795	1.121	2	123.3795	1.256	2	124.0279	1.123	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.2410	0.000	1	124.2410	0.000	1	124.0279	1.123	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	123.4970	0.795	2	123.4153	0.336	3	124.0279	1.123	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.2520	0.000	1	123.4153	0.336	3	124.0279	1.123	9	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	121.1650	0.000	1	121.1650	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	121.2120	0.000	1	121.2120	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	124.6770	0.063	3	124.6770	0.004	3	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	113.6400	0.000	1	113.6400	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|N<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|N<2>,1|O<1>}	125.1820	0.000	1	125.1820	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.3320	0.000	1	124.3320	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|S<2>,4|C<3>}	124.2930	0.000	1	124.2930	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CN)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CN)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	123.6985	0.060	2	123.6985	0.004	2	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|O<2>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CO)(N[5]C[5]C)(O){1|C<4>,1|S<1>}	124.0785	0.329	2	124.0785	0.108	2	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|S<1>}	124.6480	0.000	1	124.6480	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|H<1>,1|S<1>,4|C<3>}	122.3910	0.000	1	122.3910	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH){2|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(O){1|S<1>}	113.1220	0.000	1	113.1220	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|N<2>}	121.0075	0.309	2	121.0075	0.095	2	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|N<2>}	121.6115	0.790	2	121.6115	0.624	2	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	121.7070	0.000	1	121.7070	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|S<1>}	120.1080	0.000	1	120.1080	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.1925	0.503	8	123.1925	0.253	8	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.6765	0.617	2	123.6765	0.381	2	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(N[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.5810	0.112	2	123.5810	0.012	2	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.4750	0.000	1	123.4750	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|O<2>}	122.5590	0.000	1	122.5590	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.4720	0.000	1	123.4720	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|O<2>}	123.2410	0.000	1	123.1813	0.707	3	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.1515	1.187	2	123.1813	0.707	3	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	123.0070	0.000	1	123.0070	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){1|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	123.8690	0.000	1	123.8690	0.000	1	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.7625	0.356	2	123.7625	0.127	2	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.3695	0.189	4	123.3695	0.036	4	122.7835	5.194	48	123.0955	2.127	183	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.8050	0.000	1	123.8050	0.000	1	123.8050	0.000	1	125.4355	11.889	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,3|C<4>,7|H<1>}	130.0040	0.000	1	130.3517	0.120	3	130.3517	0.120	3	125.4355	11.889	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){4|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	130.5255	0.241	2	130.3517	0.120	3	130.3517	0.120	3	125.4355	11.889	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:N-2:	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(NH)	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(NH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.8360	0.000	1	123.8360	0.000	1	123.8360	0.000	1	125.4355	11.889	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	122.6190	0.154	3	122.6190	0.024	3	123.1318	0.625	5	125.4355	11.889	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	123.9010	0.693	2	123.9010	0.480	2	123.1318	0.625	5	125.4355	11.889	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	125.7940	1.263	4	125.7940	1.596	4	125.8052	1.077	37	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	126.0727	1.350	3	126.0727	1.822	3	125.8052	1.077	37	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	125.6331	0.865	7	125.6331	0.748	7	125.8052	1.077	37	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	125.9981	0.977	13	125.9981	0.954	13	125.8052	1.077	37	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	123.6340	0.000	1	123.6340	0.000	1	125.8052	1.077	37	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	125.6049	0.889	8	125.6049	0.790	8	125.8052	1.077	37	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	127.5190	0.000	1	127.5190	0.000	1	125.8052	1.077	37	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|Cu<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	129.0540	0.000	1	129.0540	0.000	1	129.0540	0.000	1	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	B[5]-4:N[5]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](B[5]O[5]2F)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|F<1>,1|H<1>,2|O<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](B[5]O[5]2F)(N[5]C[5]C)2{2|C<4>,2|H<1>}	125.8950	1.201	2	125.8950	1.442	2	125.8950	1.442	2	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[4]-4:C[5]-3:N[5]-3:	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[4]C[4]2H)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[4]C[4]2H)(C[5]S[5]H)(N[5]C[5]C){1|C<4>,1|S<1>,4|H<1>}	123.5880	0.000	1	123.5880	0.000	1	123.5880	0.000	1	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<1>,1|O<2>,2|C<3>}	124.2600	0.000	1	124.2600	0.000	1	124.5065	0.122	2	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<1>,1|O<2>,2|C<3>}	124.7530	0.000	1	124.7530	0.000	1	124.5065	0.122	2	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]H){1|O<1>,2|H<1>}	125.0100	0.000	1	125.0100	0.000	1	125.0100	0.000	1	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	P-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](PC[6a]2Rh)(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](PC[6a]2Rh)(N[5]C[5]C)2{2|H<1>}	128.8363	0.216	3	128.8363	0.046	3	128.8363	0.046	3	125.9523	1.880	47	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	126.2560	1.388	4	126.2560	1.926	4	126.2402	1.185	6	126.2402	1.185	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	126.2085	0.381	2	126.2085	0.145	2	126.2402	1.185	6	126.2402	1.185	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	In-5:N[5]-3:N[5]-3:	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](InC[5]Br3)(N[5]C[5]C)2	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](InC[5]Br3)(N[5]C[5]C)2{2|H<1>}	125.0575	0.804	2	125.0575	0.646	2	125.0575	0.646	2	125.0575	0.646	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:2:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-2:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)(CN)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(CN)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.8960	0.000	1	126.8960	0.000	1	126.8960	0.000	1	125.4590	4.130	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:2:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-2:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)(CN)(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)(CN)(H)	C[5](N[5]C[5]C)2(H){2|H<1>}	124.0220	0.000	1	124.0220	0.000	1	124.0220	0.000	1	125.4590	4.130	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<3>,1|H<1>}	119.6500	0.000	1	119.6500	0.000	1	119.6500	0.000	1	119.1135	0.439	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:Se[5]-2:N-2:	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a])	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a]){1|C<3>,1|C<4>}	118.2560	0.000	1	118.2560	0.000	1	118.9347	0.467	3	119.1135	0.439	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:Se[5]-2:N-2:	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a])	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](N[5]C[5]C)(Se[5]C[5])(NC[6a]){1|C<3>,1|H<1>}	119.2740	0.492	2	119.2740	0.242	2	118.9347	0.467	3	119.1135	0.439	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	123.1830	0.000	1	123.1830	0.000	1	123.1833	2.088	12	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	121.5280	0.000	1	121.5280	0.000	1	123.1833	2.088	12	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	122.8210	2.415	2	122.8210	5.835	2	123.1833	2.088	12	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	123.6685	2.855	2	123.6685	8.149	2	123.1833	2.088	12	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	123.4183	1.018	6	123.4183	1.036	6	123.1833	2.088	12	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.6170	0.000	1	125.6170	0.000	1	126.0440	0.365	2	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	126.4710	0.000	1	126.4710	0.000	1	126.0440	0.365	2	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:P-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.6740	0.000	1	125.6740	0.000	1	128.1140	11.907	2	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:P-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HP){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	130.5540	0.000	1	130.5540	0.000	1	128.1140	11.907	2	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:P-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<3>,1|N<2>,2|H<1>}	125.9620	0.000	1	125.9620	0.000	1	125.9620	0.000	1	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:F-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCF)	C(N[5]C[5]2)(CCHH)(COO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCF){2|C<3>}	C(N[5]C[5]2)(CCHH)(COO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.3330	5.508	2	124.3330	30.342	2	124.3330	30.342	2	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC3)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC3)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.6015	1.529	4	124.6015	2.337	4	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.2500	3.062	6	124.2500	9.375	6	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCCH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.4382	2.596	4	124.4382	6.740	4	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9555	0.960	2	123.9555	0.921	2	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)(COS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCCH)(COS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.3070	0.004	2	124.3070	0.000	2	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.5172	2.503	6	123.5172	6.264	6	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9300	0.612	4	123.9300	0.375	4	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(COS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHH)(COS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8215	0.062	2	123.8215	0.004	2	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHO)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0554	1.954	8	124.0554	3.817	8	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHO)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.0360	2.280	4	123.0360	5.199	4	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8908	1.677	6	123.8908	2.814	6	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.5940	0.000	1	123.9285	0.224	2	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	124.2630	0.000	1	123.9285	0.224	2	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.6868	2.433	12	123.6868	5.918	12	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8252	2.105	4	123.8252	4.432	4	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0369	1.507	8	124.0369	2.270	8	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CH3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CH3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8607	0.628	6	123.8607	0.394	6	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CHHO)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CHHO)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.4510	4.475	2	124.4510	20.022	2	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CHHS)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CHHS)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7635	0.982	2	123.7635	0.965	2	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CPdHH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CPdHH)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9112	0.813	4	123.9112	0.660	4	123.9263	3.367	88	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.3260	0.000	1	125.7604	0.543	5	124.0992	7.052	10	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){2|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	125.8690	0.803	4	125.7604	0.543	5	124.0992	7.052	10	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	119.4240	0.000	1	119.4240	0.000	1	124.0992	7.052	10	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.6730	0.000	1	124.6730	0.000	1	124.0992	7.052	10	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	120.9140	0.000	1	120.9140	0.000	1	124.0992	7.052	10	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	120.8830	0.000	1	120.8830	0.000	1	124.0992	7.052	10	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(COO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	126.2960	0.000	1	126.2960	0.000	1	124.0992	7.052	10	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){2|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	126.0425	0.440	4	126.0425	0.194	4	126.0032	0.153	5	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](N[5]C[5]C)2(H){2|H<1>}	125.8460	0.000	1	125.8460	0.000	1	126.0032	0.153	5	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	123.1695	0.436	2	123.1695	0.190	2	123.1695	0.190	2	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:N-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHN)	C(N[5]C[5]2)(CCHH)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	C(N[5]C[5]2)(CCHH)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9695	4.584	2	123.9695	21.015	2	123.9695	21.015	2	124.0630	4.156	126	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	124.4390	0.000	1	124.4390	0.000	1	123.9800	0.339	4	123.9800	0.339	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	124.4240	0.000	1	124.4240	0.000	1	123.9800	0.339	4	123.9800	0.339	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	123.5285	0.449	2	123.5285	0.202	2	123.9800	0.339	4	123.9800	0.339	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3){1|O<1>,2|C<4>}	127.2200	0.000	1	127.2200	0.000	1	124.4843	5.620	3	125.5878	9.581	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)(CHH)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)(CHH)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Be<3>,1|C<4>}	123.1165	0.115	2	123.1165	0.013	2	124.4843	5.620	3	125.5878	9.581	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:O-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|Cl<1>,1|C<4>}	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	130.2390	0.000	1	130.2390	0.000	1	127.2430	17.952	2	125.5878	9.581	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:O-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO)	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	124.2470	0.000	1	124.2470	0.000	1	127.2430	17.952	2	125.5878	9.581	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.5678	3.290	4	123.5678	10.821	4	123.5678	10.821	4	123.7777	3.900	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O){1|C<4>,3|C<3>,4|H<1>}	122.2610	0.000	1	122.2610	0.000	1	122.2610	0.000	1	123.7777	3.900	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CCCH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	123.9615	0.436	2	123.9615	0.190	2	123.9615	0.190	2	123.7777	3.900	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	125.1050	0.028	2	125.1050	0.001	2	125.1050	0.001	2	123.7777	3.900	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:N-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCHN)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHN){4|H<1>}	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.4450	0.228	2	123.4450	0.052	2	123.4450	0.052	2	123.7777	3.900	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	2:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	S[5]-2:N[5]-3:S-1:	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](S[5]C[5,6])(N[5]C[5]C)(S)	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](S[5]C[5,6])(N[5]C[5]C)(S){1|O<1>,2|C<4>}	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C[5](N[5]C[5]C)(N[5]N[5])(H)	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CCCH){1|C<4>}	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C[5](N[5]C[5]C)(N[5]N[5])(H){1|Ir<6>,1|C<4>}	127.5115	2.300	2	127.5115	5.291	2	127.5115	5.291	2	127.5115	5.291	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|C<3>,1|C<4>}	123.5680	0.000	1	123.5680	0.000	1	123.5680	0.000	1	123.5680	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:S[5]-2:C-3:	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]C)(S[5]C[5])(CHH)	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH){1|N<2>,2|C<3>}	C(N[5]C[5]N[5])(CH3)2(H)	C[5](N[5]N[5]C)(S[5]C[5])(CHH){1|C<3>,1|N<2>}	128.7750	0.000	1	128.7750	0.000	1	128.7750	0.000	1	128.7750	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:2:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-2:C-4:	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CC3)(CH3)(H)	C[5](N[5]C[5]C)(N[5]N[5])(CH3)	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH){1|C<3>}	C(N[5]C[5]2)(CC3)(CH3)(H)	C[5](N[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	127.1705	0.011	2	127.1705	0.000	2	127.1705	0.000	2	127.1705	0.000	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5,5]C[5])(CH3)2(H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH){1|H<1>,2|B<4>}	C(N[5]C[5,5]C[5])(CH3)2(H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|S<2>}	126.4820	0.324	2	126.4820	0.105	2	126.4820	0.105	2	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH)	C(N[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C)(H){2|C<3>,2|C<4>}	123.8795	1.951	2	123.8795	3.806	2	123.8795	3.806	2	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	124.8140	0.000	1	124.8140	0.000	1	124.8140	0.000	1	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	126.4471	1.125	19	126.4471	1.265	19	126.4259	1.620	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H){2|C<3>,3|C<4>}	123.5700	0.000	1	123.5700	0.000	1	126.4259	1.620	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH){1|Pt<4>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]Pt)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	127.6530	0.257	2	127.6530	0.066	2	126.4259	1.620	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(S){2|C<3>}	123.1730	0.221	2	123.1730	0.049	2	123.1730	0.049	2	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(Se)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(Se){2|C<3>}	123.4990	0.497	3	123.4990	0.247	3	123.4990	0.247	3	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCCH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.4545	4.809	2	124.4545	23.127	2	123.9605	5.199	20	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	123.9248	2.940	4	123.9248	8.641	4	123.9605	5.199	20	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	124.2420	1.119	2	124.2420	1.251	2	123.9605	5.199	20	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.4292	1.710	4	123.4292	2.926	4	123.9605	5.199	20	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.5685	4.567	2	124.5685	20.859	2	123.9605	5.199	20	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.1615	2.017	2	124.1615	4.070	2	123.9605	5.199	20	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	125.3480	0.550	2	125.3480	0.303	2	123.9605	5.199	20	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	122.1225	1.128	2	122.1225	1.272	2	123.9605	5.199	20	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.5925	1.363	2	123.5925	1.857	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.8810	0.334	2	123.8810	0.111	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.1325	1.293	4	123.5696	0.788	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,3|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	124.1707	0.522	4	123.5696	0.788	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	123.4055	0.416	4	123.5696	0.788	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	123.3935	0.168	2	123.3935	0.028	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	122.5592	0.506	6	122.5592	0.256	6	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	123.9317	1.169	4	122.6142	2.893	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	121.9554	1.572	8	122.6142	2.893	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.1150	0.000	1	124.1150	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	124.4373	0.856	4	125.0835	1.131	20	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<3>}	126.2590	0.000	1	125.0835	1.131	20	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	126.2438	0.183	4	125.0835	1.131	20	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	124.7898	0.990	11	125.0835	1.131	20	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Pt)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Pt<6>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Pt)(N[5]C[5]C)(H){2|C<4>}	125.2202	0.588	4	125.2202	0.345	4	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Rh<6>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Rh)(N[5]C[5]C)(H){2|C<4>}	125.2303	1.242	6	125.2303	1.542	6	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	127.7920	0.000	1	127.7920	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.5684	1.680	8	126.1595	2.348	33	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.3011	1.479	24	126.1595	2.348	33	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|H<1>,1|P<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|P<3>}	127.4900	0.000	1	126.1595	2.348	33	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<6>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.6750	0.000	2	125.3037	0.414	3	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<8>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Ir)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	124.5610	0.000	1	125.3037	0.414	3	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.0310	0.000	1	126.0310	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.3420	0.000	1	125.3420	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ru<6>,1|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Ru)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	122.6730	0.000	1	122.6730	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	125.5235	1.856	2	125.2010	1.458	4	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>}	124.8785	0.716	2	125.2010	1.458	4	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Si)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|Si<4>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]Si)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	127.1500	0.000	1	127.1500	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<2>}	124.3127	0.558	6	124.3476	0.241	8	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	124.4525	0.310	2	124.3476	0.241	8	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	126.2570	0.000	1	126.2570	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	125.4910	0.059	3	124.4815	2.833	11	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	125.0580	0.481	3	124.4815	2.833	11	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	124.2220	0.000	1	124.4815	2.833	11	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	121.2290	0.590	2	124.4815	2.833	11	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	125.4850	0.467	2	124.4815	2.833	11	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	126.4994	0.883	5	126.4994	0.780	5	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]S)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]S)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.3110	0.000	1	125.3110	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	126.5855	1.685	2	126.5855	2.839	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	125.5456	1.831	8	125.5456	3.353	8	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>,2|P<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ga<4>,1|C<4>}	123.9002	0.152	4	123.9002	0.023	4	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	123.7173	0.170	4	123.7173	0.029	4	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|As<2>,1|C<4>}	124.3705	1.477	2	124.3705	2.182	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ce<10>,1|C<4>}	123.5100	0.093	2	123.5100	0.009	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	123.6977	0.426	8	123.6998	1.016	54	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<7>,1|C<4>}	124.4283	0.616	22	123.6998	1.016	54	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<8>,1|C<4>}	123.0329	1.028	22	123.6998	1.016	54	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<9>,1|C<4>}	123.0305	0.134	2	123.6998	1.016	54	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<7>,1|C<4>}	123.9605	0.561	2	123.9605	0.314	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	125.0385	0.510	2	124.3706	0.516	18	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	124.2871	0.707	16	124.3706	0.516	18	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	123.8885	0.138	2	123.7414	1.721	18	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	124.0769	1.434	12	123.7414	1.721	18	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	122.6612	0.424	4	123.7414	1.721	18	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<4>}	124.2260	1.346	2	123.7194	1.307	5	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	123.3817	1.131	3	123.7194	1.307	5	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	121.6330	0.000	1	121.6330	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Ir<6>,1|C<4>,2|C<3>}	122.9320	0.000	1	122.9320	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	126.8635	1.402	2	125.3045	2.169	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	124.2407	0.678	3	125.3045	2.169	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	124.7223	0.503	3	125.3045	2.169	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	125.7595	1.859	4	125.3045	2.169	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	122.3963	0.195	3	122.3963	0.038	3	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	124.5720	0.342	2	124.5720	0.117	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	123.7083	1.552	3	124.9051	0.763	103	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	124.9583	0.846	94	124.9051	0.763	103	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	124.0400	0.008	2	124.9051	0.763	103	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	124.9832	0.368	4	124.9051	0.763	103	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.1790	1.283	2	123.1790	1.645	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	123.4220	0.684	2	123.4220	0.469	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	124.7332	1.374	9	124.5783	1.745	25	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	125.9580	0.000	1	124.5783	1.745	25	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<2>,1|C<4>}	124.5250	0.054	2	124.5783	1.745	25	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	123.9433	1.300	8	124.5783	1.745	25	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	125.6783	0.517	4	124.5783	1.745	25	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<6>,1|C<4>}	122.5920	0.000	1	124.5783	1.745	25	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	123.8944	1.034	8	123.8944	1.070	8	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	123.7685	1.983	2	124.0462	1.625	23	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	124.0727	1.258	21	124.0462	1.625	23	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	123.1610	0.093	2	123.1610	0.009	2	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Rh<6>,1|C<4>,2|C<3>}	122.3870	0.000	1	122.3870	0.000	1	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	122.6175	1.636	4	123.5718	1.958	13	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	123.9960	1.130	9	123.5718	1.958	13	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	122.3973	1.229	6	122.3973	1.510	6	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	126.1120	0.000	1	122.8684	3.088	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	123.1912	1.769	4	122.8684	3.088	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	122.1740	0.525	2	122.8684	3.088	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	122.0290	0.000	1	122.8684	3.088	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	122.2917	1.859	4	122.8684	3.088	12	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	124.9270	0.718	2	124.6650	0.328	6	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	124.5340	0.553	4	124.6650	0.328	6	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	124.2670	0.000	1	124.4690	1.513	15	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	123.7130	0.000	1	124.4690	1.513	15	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	125.3042	0.802	4	124.4690	1.513	15	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	124.2042	1.379	9	124.4690	1.513	15	124.4194	2.100	494	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<3>,1|O<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	125.5180	0.000	1	124.7890	0.734	3	124.7890	0.734	3	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>,1|N<2>}	124.4245	0.820	2	124.7890	0.734	3	124.7890	0.734	3	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]B[5]C)(N[5]C[5]C)(H)	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]B[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>}	125.8400	0.000	1	125.8400	0.000	1	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H){2|C<4>}	124.8087	1.826	20	124.8087	3.336	20	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	123.9660	0.000	1	123.9660	0.000	1	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|H<1>,2|N<2>}	126.6100	0.000	1	125.4742	2.864	6	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>}	124.4480	0.040	4	125.4742	2.864	6	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ru<6>,1|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]2)(N[5]C[5]C)(H){1|Ru<6>,1|H<1>,2|N<3>}	128.4430	0.000	1	125.4742	2.864	6	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|H<1>,1|P<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]P)(H){2|H<1>}	125.3520	0.000	1	125.3520	0.000	1	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H){2|H<1>}	125.4630	1.417	20	125.6021	1.719	25	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<4>}	125.4590	0.000	1	125.6021	1.719	25	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<6>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H){1|Ir<6>,1|H<1>}	126.1070	0.000	2	125.6021	1.719	25	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<8>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H){1|Ir<8>,1|H<1>}	126.9760	0.000	1	125.6021	1.719	25	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	126.1450	0.000	1	125.6021	1.719	25	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){1|N<2>,1|N<3>,2|H<1>}	126.2405	2.149	2	126.2405	4.618	2	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	125.3462	1.698	5	125.3462	2.882	5	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	123.3530	0.660	2	123.3530	0.436	2	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|Ru<6>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]Ru)(N[5]C[5]C)(H){2|C<3>}	121.9690	0.000	1	121.9690	0.000	1	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CC3)(CH3)(H)	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH){1|C<3>}	C(N[5]C[5]2)(CC3)(CH3)(H)	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(H){1|C<4>,2|C<3>}	126.5500	0.540	2	126.5500	0.292	2	125.2306	2.592	66	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){3|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|N<2>,2|H<1>}	124.2910	0.000	1	124.2910	0.000	1	124.2910	0.000	1	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH){1|C<4>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S){1|S<1>,2|N<3>}	121.9300	0.000	1	121.9300	0.000	1	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S){2|C<4>}	123.7430	0.000	1	123.7430	0.000	1	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|C<4>,1|H<1>}	124.8550	0.000	1	124.8433	0.270	3	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(S){2|H<1>}	124.8375	0.735	2	124.8433	0.270	3	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	123.5886	0.672	5	123.7997	0.629	6	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S){1|H<1>,1|S<2>}	124.8550	0.000	1	123.7997	0.629	6	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	124.8210	0.000	1	124.8210	0.000	1	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<3>,1|N<2>,2|H<1>}	124.1900	0.571	2	124.1900	0.326	2	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.9080	0.000	1	123.9080	0.000	1	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	125.8780	0.000	1	125.9340	0.006	2	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S){1|P<3>,1|P<4>}	125.9900	0.000	1	125.9340	0.006	2	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S){1|H<1>,1|S<2>}	127.5660	0.000	1	124.9432	2.278	5	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(S){2|S<2>}	124.2875	0.413	4	124.9432	2.278	5	124.3952	1.386	22	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](N[5]C[5]C)2(Se){2|H<1>}	125.2500	0.000	1	125.2500	0.000	1	124.9763	0.379	7	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(Se){2|C<3>,2|H<1>}	125.3660	0.000	1	125.3660	0.000	1	124.9763	0.379	7	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(Se){2|H<1>}	124.7368	0.760	4	124.7368	0.577	4	124.9763	0.379	7	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(Se){1|N<2>,1|N<3>,2|H<1>}	125.2710	0.000	1	125.2710	0.000	1	124.9763	0.379	7	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]N[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	130.1410	0.000	1	130.1410	0.000	1	130.1410	0.000	1	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[5]CH)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[5]CH){2|H<1>}	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	128.0350	0.000	1	128.0350	0.000	1	128.0350	0.000	1	124.5745	2.411	647	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(NS){2|C<3>}	123.7120	0.000	1	123.7120	0.000	1	122.8530	4.510	5	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(NH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(NH){2|C<3>}	122.6382	2.389	4	122.6382	5.706	4	122.8530	4.510	5	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(PC[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(PC[5]){2|C<3>}	124.1815	0.465	4	124.1815	0.216	4	124.1815	0.216	4	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(SCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(SCu){2|C<3>}	123.6343	0.657	4	123.6343	0.431	4	123.6343	0.431	4	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(SeCu)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(SeCu){2|C<3>}	123.9477	0.685	4	123.9477	0.469	4	124.9111	0.866	12	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(SeSe)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(SeSe){2|C<3>}	125.3928	0.604	8	125.3928	0.364	8	124.9111	0.866	12	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(SS)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(SS){1|C<4>,1|S<1>}	123.2860	0.000	1	123.2860	0.000	1	126.9080	6.050	4	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi){1|C<4>,1|S<1>}	128.1153	0.574	3	128.1153	0.330	3	126.9080	6.050	4	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:N[5]-3:O[5]-2:	N[5](C[5]C[6a]O[5])(C[5]C[5]Rh)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[6a]O[5])(C[5]C[5]Rh)(CCCH){3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|Rh<4>,2|H<1>,3|C<3>}	123.5450	0.000	1	123.5450	0.000	1	123.5450	0.000	1	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:As-2:	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(AsC[6a])	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(AsC[6a]){2|H<1>}	125.3385	0.599	2	125.3385	0.359	2	125.3385	0.359	2	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC){2|C<4>}	122.5012	1.760	8	122.5012	3.099	8	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[5])	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[5]){2|C<4>}	120.5015	0.117	2	120.5015	0.014	2	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[6a]){2|C<4>}	121.9260	0.448	2	121.9260	0.201	2	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NFe)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NFe){2|C<4>}	123.9095	2.132	2	123.9095	4.545	2	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NH)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NH){2|C<4>}	125.8750	1.370	4	125.8750	1.876	4	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NN){2|C<4>}	122.9510	1.942	2	122.9510	3.770	2	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NP){2|C<4>}	121.8452	1.254	14	121.8452	1.573	14	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NN){2|H<1>}	125.4660	2.367	2	125.4660	5.605	2	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NSi)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|Si<4>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NSi){1|Si<4>,1|H<1>}	122.8140	0.000	1	122.8140	0.000	1	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a])	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[6a]){1|O<1>,2|C<4>}	122.6280	0.000	1	122.6280	0.000	1	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[6a]){2|O<1>}	123.9205	2.543	2	123.9205	6.469	2	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<3>,1|O<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NC){2|C<3>,2|O<1>}	121.0170	0.000	1	121.0170	0.000	1	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NSi)	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NSi){1|Si<4>,1|H<1>}	123.7670	0.000	1	123.7670	0.000	1	122.7838	3.784	42	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PC[5])	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PC[5]){2|C<4>}	122.7565	0.271	4	122.7565	0.074	4	124.2137	2.324	14	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PN)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PN){2|C<4>}	123.6805	0.845	4	123.6805	0.715	4	124.2137	2.324	14	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PC[5])	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PC[5]){2|H<1>}	126.0655	0.097	2	126.0655	0.009	2	124.2137	2.324	14	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PC[6a])	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PC[6a]){2|H<1>}	124.0125	0.442	2	124.0125	0.195	2	124.2137	2.324	14	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PH){2|H<1>}	126.5440	0.460	2	126.5440	0.211	2	124.2137	2.324	14	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SAl)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SAl){2|C<4>}	123.8320	0.000	1	123.8320	0.000	1	124.7572	4.408	15	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SC)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SC){2|C<4>}	123.8025	0.120	2	123.8025	0.014	2	124.7572	4.408	15	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SCu)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SCu){2|C<4>}	122.6580	0.496	2	122.6580	0.246	2	124.7572	4.408	15	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SP)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SP){2|C<4>}	122.9515	0.517	2	122.9515	0.267	2	124.7572	4.408	15	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SRh)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SRh){2|C<4>}	125.2300	3.797	2	125.2300	14.418	2	124.7572	4.408	15	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	125.3840	0.577	3	125.3840	0.333	3	124.7572	4.408	15	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SBi){2|H<1>}	128.3415	0.589	2	128.3415	0.347	2	124.7572	4.408	15	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SCu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SCu){1|C<3>,1|N<2>,2|H<1>}	125.4070	0.000	1	125.4070	0.000	1	124.7572	4.408	15	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SeC[5])	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SeC[5]){2|C<4>}	124.4085	0.671	4	124.4085	0.450	4	125.8149	1.445	18	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C[5](N[5]C[5]C)2(SeAg)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	C[5](N[5]C[5]C)2(SeAg){2|H<1>}	125.7565	0.525	4	125.7565	0.276	4	125.8149	1.445	18	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SeBi)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SeBi){2|H<1>}	128.2345	0.165	2	128.2345	0.027	2	125.8149	1.445	18	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SeZn)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SeZn){2|H<1>}	125.9211	0.655	7	125.9211	0.429	7	125.8149	1.445	18	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeCu)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(SeCu){1|C<3>,1|N<2>,2|H<1>}	126.0910	0.000	1	126.0910	0.000	1	125.8149	1.445	18	124.1178	4.195	121	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(BC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(BC[5]H){2|C<3>}	122.6115	1.008	2	122.6115	1.015	2	122.6115	1.015	2	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5]){2|C<3>}	124.2860	0.464	2	124.2860	0.215	2	123.9171	0.522	14	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]Be)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]Be){2|C<3>}	124.0097	1.001	3	124.0097	1.003	3	123.9171	0.522	14	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]C){2|C<3>}	123.5820	0.533	2	123.5820	0.284	2	123.9171	0.522	14	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]H){2|C<3>}	123.7285	0.613	2	123.7285	0.376	2	123.9171	0.522	14	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]Ni)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]Ni){2|C<3>}	123.4685	0.609	2	123.4685	0.371	2	123.9171	0.522	14	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]Pd)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]Pd){2|C<3>}	124.0140	1.407	2	124.0140	1.980	2	123.9171	0.522	14	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]Rh){2|C<3>}	124.6520	0.000	1	124.6520	0.000	1	123.9171	0.522	14	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH){1|Zn<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	128.1920	0.000	1	128.1920	0.000	1	128.1920	0.000	1	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](BC[3x3,4,3x5,14x6]N)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](BC[3x3,4,3x5,14x6]N)(N[5]C[5]C)2{2|C<4>}	121.5330	0.144	2	121.5330	0.021	2	123.0070	2.935	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](BC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](BC[6a]C[5])(N[5]C[5]C)2{2|H<1>}	124.4810	0.307	2	124.4810	0.094	2	123.0070	2.935	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-3:N[5]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2{1|C<6>,2|C<3>,2|C<4>,4|B<6>}	123.7450	1.147	4	123.7450	1.316	4	123.7450	1.316	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5a]-3:N[5]-3:N[5]-3:	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5a]O[5a]2)(N[5]C[5]C)2	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5a]O[5a]2)(N[5]C[5]C)2{2|C<3>,2|C<4>}	123.5060	0.037	2	123.5060	0.001	2	125.3843	4.705	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5a]-3:N[5]-3:N[5]-3:	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5a]O[5a]2)(N[5]C[5]C)2	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5a]O[5a]2)(N[5]C[5]C)2{2|C<3>,2|H<1>}	127.2625	0.033	2	127.2625	0.001	2	125.3843	4.705	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[6]-3:N[5]-3:N[5]-3:	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2{1|N<2>,2|C<3>,3|C<4>}	121.4280	0.266	2	121.5995	0.172	4	121.5995	0.172	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[6]-3:N[5]-3:N[5]-3:	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[6]C[6,6a]N[5,6])(N[5]C[5]C)2{1|N<3>,2|C<3>,3|C<4>}	121.7710	0.573	2	121.5995	0.172	4	121.5995	0.172	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	127.1525	0.402	2	127.9017	1.765	3	127.7898	1.093	5	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|Ru<6>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,3|H<1>,4|C<3>}	129.4000	0.000	1	127.9017	1.765	3	127.7898	1.093	5	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,1|C<4>,2|H<1>,4|C<3>}	127.0100	0.000	1	127.0100	0.000	1	127.7898	1.093	5	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH)	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,1|C<4>,2|H<1>,4|C<3>}	128.2340	0.000	1	128.2340	0.000	1	127.7898	1.093	5	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|N<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	119.3895	5.054	4	119.3895	25.543	4	119.3895	25.543	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|S<1>}	123.7570	0.000	1	123.7570	0.000	1	123.7570	0.000	1	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Pt)(N[5]C[5]C)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Pt)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	126.1625	1.589	2	126.1625	2.525	2	126.1625	2.525	2	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	126.6360	0.727	2	126.6360	0.528	2	125.3983	4.860	3	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	122.9230	0.000	1	122.9230	0.000	1	125.3983	4.860	3	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,4|H<1>}	125.7231	1.570	8	125.7231	2.464	8	126.1344	2.252	11	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH){1|C<4>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{1|Pd<4>,2|H<1>,3|C<3>}	127.2310	0.395	3	127.2310	0.156	3	126.1344	2.252	11	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ge-3:N[5]-3:N[5]-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](GeB[5a]Cl)(N[5]C[5]C)2	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](GeB[5a]Cl)(N[5]C[5]C)2{2|C<4>}	122.8550	0.180	2	122.8550	0.032	2	121.8995	1.496	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ge-3:N[5]-3:N[5]-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](GeB[5a]Ge)(N[5]C[5]C)2	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](GeB[5a]Ge)(N[5]C[5]C)2{2|C<4>}	120.9440	0.897	2	120.9440	0.804	2	121.8995	1.496	4	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BC[5]C)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BC[5]C){2|C<4>}	122.2442	0.328	4	122.2442	0.108	4	123.4562	7.802	8	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BC[6a]N)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BC[6a]N){2|C<4>}	121.4110	0.137	2	121.4110	0.019	2	123.4562	7.802	8	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BCl2){2|H<1>}	127.9255	0.285	2	127.9255	0.081	2	123.4562	7.802	8	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CCC){2|H<1>}	124.6010	0.000	1	124.6010	0.000	1	124.5380	0.120	5	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CSS)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CSS){2|H<1>}	124.5443	0.485	3	124.5443	0.235	3	124.5380	0.120	5	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(COO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(COO){2|C<3>,2|H<1>}	124.4560	0.000	1	124.4560	0.000	1	124.5380	0.120	5	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeCl2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeCl2){2|C<4>}	125.3880	2.555	2	125.3880	6.530	2	123.7960	2.270	8	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeFeGe)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeFeGe){2|C<4>}	122.5700	0.028	2	122.5700	0.001	2	123.7960	2.270	8	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeII)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeII){2|C<4>}	123.8460	0.684	2	123.8460	0.469	2	123.7960	2.270	8	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeSi2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeSi2){2|C<4>}	123.3800	0.682	2	123.3800	0.465	2	123.7960	2.270	8	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NCC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NCC){2|C<4>}	121.6860	1.026	4	121.6860	1.053	4	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[5]H){2|C<4>}	122.7155	0.142	2	122.7155	0.020	2	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[5]Ni)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[5]Ni){2|C<4>}	122.4729	1.519	8	122.4729	2.309	8	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[5]Pd)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[5]Pd){2|C<4>}	124.9488	1.234	26	124.9488	1.524	26	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[6a]Al)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NC[6a]Al){2|C<4>}	121.8645	0.145	2	121.8645	0.021	2	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NCrSi)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NCrSi){2|C<4>}	121.7463	0.443	6	121.7463	0.196	6	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NCuC){2|C<4>}	121.6113	1.040	7	121.6113	1.082	7	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NMoC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NMoC){2|C<4>}	121.4863	0.888	4	121.4863	0.789	4	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NPdC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NPdC){2|C<4>}	122.6770	1.179	10	122.6770	1.390	10	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NPtC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NPtC){2|C<4>}	122.3730	0.185	2	122.3730	0.034	2	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NRuC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NRuC){2|C<4>}	122.2122	1.472	4	122.2122	2.167	4	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NNi2)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NNi2){2|H<1>}	124.8970	0.051	2	124.8970	0.003	2	123.1457	3.144	77	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<2>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2{1|N<3>,2|C<3>,2|C<4>}	122.1455	0.073	2	122.2110	0.010	4	122.1605	0.019	6	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<3>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5,6a]Ga[5])(N[5]C[5]C)2{1|Fe<5>,1|N<3>,2|C<3>,2|C<4>}	122.2765	0.084	2	122.2110	0.010	4	122.1605	0.019	6	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5,6a]In[5])(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|In<2>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5,6a]In[5])(N[5]C[5]C)2{1|N<3>,2|C<3>,2|C<4>}	122.0595	0.180	2	122.0595	0.033	2	122.1605	0.019	6	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PClP)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PClP){2|C<4>}	124.0095	0.349	4	124.0095	0.122	4	124.7700	1.471	6	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PHH)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PHH){2|H<1>}	126.2910	0.229	2	126.2910	0.052	2	124.7700	1.471	6	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P[3]-3:	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(P[3]P[3]2)	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH){2|C<4>,2|P<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(P[3]P[3]2){2|C<3>,2|C<4>}	124.4228	0.544	6	124.4228	0.296	6	124.4228	0.296	6	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiCP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiCP){2|C<4>}	122.4920	1.102	4	122.4920	1.214	4	123.0130	0.816	10	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiClN)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiClN){2|C<4>}	123.5765	0.298	2	123.5765	0.089	2	123.0130	0.816	10	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiNP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiNP){2|C<4>}	123.1575	0.296	2	123.1575	0.088	2	123.0130	0.816	10	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-3:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiSi2)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiSi2){2|C<4>}	123.3470	1.242	2	123.3470	1.542	2	123.0130	0.816	10	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Si[3]-3:N[5]-3:N[5]-3:	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3]C[3]P[3])(N[5]C[5]C)2	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|P<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3]C[3]P[3])(N[5]C[5]C)2{2|Si<3>,3|C<4>}	122.7225	0.579	2	122.7225	0.335	2	122.7225	0.335	2	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Si[5]-3:N[5]-3:N[5]-3:	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[5]C[5x3,6x5,20x6]N[5])(N[5]C[5]C)2{1|C<3>,1|C<6>,3|C<4>,4|B<6>}	123.0930	0.738	2	123.0930	0.545	2	123.0930	0.545	2	123.6262	4.436	193	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(BC[5]HO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(BC[5]HO){2|C<3>}	126.1705	1.105	2	126.1705	1.221	2	126.1705	1.221	2	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]HH){2|C<3>}	126.0072	0.593	4	126.0072	0.351	4	126.0072	0.351	4	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ga[4]-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH){1|C<4>,2|C<3>,2|H<1>,2|P<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]C)2(Ga[4]P[4]2H){1|Ga<4>,2|Si<4>,2|C<3>}	124.1050	0.275	4	124.1050	0.076	4	124.1050	0.076	4	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(SiC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH){1|Ni<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(SiC3){2|C<3>}	125.0090	0.634	3	125.0090	0.402	3	124.7689	0.471	15	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(SiC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(SiC3){2|C<3>}	124.7089	0.712	12	124.7089	0.506	12	124.7689	0.471	15	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH){1|H<1>,2|B<6>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	127.7635	0.467	2	127.7635	0.218	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	126.0735	0.695	2	126.6420	1.103	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	126.9263	1.164	4	126.6420	1.103	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	127.0200	0.076	2	127.0200	0.006	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	128.8565	0.336	4	128.8565	0.113	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<2>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	128.8465	0.245	2	128.7268	0.066	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<3>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	128.8675	0.129	2	128.7268	0.066	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|In<2>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	128.4665	0.227	2	128.7268	0.066	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	127.9636	0.543	8	126.6079	1.642	22	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	125.5880	0.836	10	126.6079	1.642	22	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	126.4462	0.550	4	126.6079	1.642	22	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	127.1905	0.719	2	127.1905	0.517	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	126.4254	1.891	20	126.4254	3.576	20	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	127.2906	1.883	34	127.3177	3.115	109	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	127.3299	1.722	75	127.3177	3.115	109	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	127.0261	0.436	8	127.0178	0.164	13	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	127.1043	0.412	3	127.0178	0.164	13	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	126.8550	0.468	2	127.0178	0.164	13	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<1>}	127.3150	0.000	1	127.4147	2.822	10	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	127.4258	1.782	9	127.4147	2.822	10	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	126.1750	0.103	2	124.3253	22.079	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|N<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	123.4005	5.777	4	124.3253	22.079	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH){1|P<2>,2|C<4>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	127.2615	0.753	2	127.2615	0.567	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH){1|Fe<5>,1|Ge<4>,1|S<2>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	126.7558	0.514	4	126.7558	0.264	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH){2|C<4>,4|S<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	126.8505	0.136	2	126.8505	0.019	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){1|Cl<1>,4|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	128.6750	0.116	2	128.0390	0.603	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){2|Cl<1>,2|C<4>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	127.4030	0.423	2	128.0390	0.603	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH){1|O<1>,2|C<4>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	126.4248	0.319	4	126.4248	0.101	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<3>,1|C<4>}	127.4171	0.315	12	126.8664	0.648	24	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	126.3157	0.770	12	126.8664	0.648	24	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Be<3>,1|C<4>}	129.4235	1.040	2	129.4235	1.082	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Co)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Co)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	126.5338	0.685	39	126.5338	0.470	39	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Cu)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Cu)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cu<3>,1|C<4>}	123.8365	0.443	2	123.8365	0.197	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CFeHH)(CH3)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CFeHH)(CH3)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<8>,1|C<4>}	129.3120	0.000	1	129.3120	0.000	1	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<3>,1|C<4>}	126.6873	2.374	12	126.7771	1.401	110	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	126.9298	0.590	77	126.7771	1.401	110	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<5>,1|C<4>}	125.6448	0.790	4	126.7771	1.401	110	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<6>,1|C<4>}	126.2080	5.637	2	126.7771	1.401	110	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<7>,1|C<4>}	126.9702	0.951	9	126.7771	1.401	110	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<8>,1|C<4>}	125.4960	1.330	5	126.7771	1.401	110	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	126.4340	0.000	1	126.7771	1.401	110	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH){1|Fe<6>,1|B<4>}	126.0893	0.654	3	126.0893	0.428	3	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	126.6483	1.032	16	126.6483	1.065	16	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	126.4373	1.634	12	126.2929	1.272	26	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	126.1691	0.390	14	126.2929	1.272	26	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<7>,1|C<4>}	127.3912	0.973	4	127.4282	0.717	5	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	127.5760	0.000	1	127.4282	0.717	5	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CIrHH)(CH3)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CIrHH)(CH3)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	130.4350	0.000	1	130.4350	0.000	1	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	127.1630	0.369	4	127.1630	0.136	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	127.2110	0.262	4	127.2110	0.069	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	125.5390	0.324	3	125.5390	0.105	3	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	127.9942	0.367	4	127.8225	0.796	62	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	127.8107	0.918	58	127.8225	0.796	62	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH){2|C<4>,2|P<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	126.4562	0.456	6	126.4562	0.208	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<4>}	127.5907	0.275	4	127.5907	0.076	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	127.6568	1.040	4	127.6568	1.081	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Re)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Re)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Re<6>,1|C<4>}	125.1651	0.286	16	125.1651	0.082	16	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	127.0486	0.651	10	127.5301	0.921	14	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	128.7337	0.112	4	127.5301	0.921	14	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|H<1>}	126.8280	0.000	1	126.0825	0.478	18	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	125.9050	0.496	4	126.0825	0.478	18	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	126.7764	0.363	5	126.0825	0.478	18	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	125.6444	0.566	8	126.0825	0.478	18	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	127.9714	0.605	5	127.9714	0.366	5	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>}	126.9082	0.626	4	126.9082	0.391	4	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	126.5738	1.091	10	126.3501	0.563	30	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	126.2382	0.506	20	126.3501	0.563	30	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	126.5350	0.710	2	126.5350	0.504	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	126.7040	0.280	6	126.7040	0.078	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Zn)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Zn)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Zn<4>,1|C<4>}	126.3945	0.005	2	126.3945	0.000	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	125.9380	0.016	2	125.9380	0.000	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|N<3>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	124.7905	0.302	2	124.7905	0.091	2	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|N<2>,1|N<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	127.7810	0.215	2	127.6155	0.397	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|P<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	127.0130	0.618	2	127.6155	0.397	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){2|C<4>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	128.0525	0.629	2	127.6155	0.397	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|As<2>,2|C<4>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	124.9525	0.141	2	125.4533	0.520	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|B<4>,1|C<6>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	125.1720	0.481	2	125.4533	0.520	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	126.2355	0.684	2	125.4533	0.520	6	126.9005	1.981	647	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN){1|C<4>,1|S<1>}	124.2530	0.000	1	124.2530	0.000	1	124.2530	0.000	1	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:Si-4:	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(SiC3)	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(SiC3){1|C<4>,1|N<2>}	125.0490	0.000	1	125.0490	0.000	1	125.0490	0.000	1	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BC[6a]BH)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BC[6a]BH){2|C<4>}	122.8270	0.337	4	122.8270	0.114	4	125.4586	4.561	18	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BCl3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BCl3){2|C<4>}	125.2625	0.556	4	125.2625	0.309	4	125.4586	4.561	18	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BClHN)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BClHN){2|C<4>}	123.5485	0.122	2	123.5485	0.015	2	125.4586	4.561	18	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BC3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BC3){2|H<1>}	127.9818	0.696	4	127.9818	0.485	4	125.4586	4.561	18	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BCl3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BCl3){2|H<1>}	128.0345	0.039	2	128.0345	0.002	2	125.4586	4.561	18	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BH3)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(BH3){2|H<1>}	125.4015	0.948	2	125.4015	0.899	2	125.4586	4.561	18	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CFeCC)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CFeCC){2|C<4>}	123.1120	0.679	2	123.1120	0.461	2	125.5818	1.458	28	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	126.5900	0.000	1	126.5900	0.000	1	125.5818	1.458	28	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	126.2311	1.150	9	126.2311	1.322	9	125.5818	1.458	28	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CH3){2|H<1>}	125.6310	0.052	2	125.3381	0.806	12	125.5818	1.458	28	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Pt<6>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CH3){1|Pt<6>,1|H<1>}	125.4822	0.108	4	125.3381	0.806	12	125.5818	1.458	28	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Rh<6>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(CH3){1|Rh<6>,1|H<1>}	125.1443	1.292	6	125.3381	0.806	12	125.5818	1.458	28	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CAlHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CAlHH){2|C<3>,2|H<1>}	124.7970	0.000	1	124.7970	0.000	1	125.5818	1.458	28	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	126.1807	0.160	3	126.1807	0.026	3	125.5818	1.458	28	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ga-4:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GaC[5]HH)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GaC[5]HH){2|C<4>}	122.3720	0.665	2	122.3720	0.442	2	123.2467	2.462	6	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ga-4:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GaCl2H)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GaCl2H){2|C<4>}	124.1025	2.911	2	124.1025	8.475	2	123.2467	2.462	6	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ga-4:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GaCl3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GaCl3){2|C<4>}	123.2655	0.630	2	123.2655	0.397	2	123.2467	2.462	6	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-4:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeCII)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeCII){2|C<4>}	124.3055	0.262	2	124.3055	0.069	2	123.7771	0.280	10	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-4:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeCOO)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeCOO){2|C<4>}	123.7725	0.062	2	123.7725	0.004	2	123.7771	0.280	10	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-4:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeCl2Fe)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeCl2Fe){2|C<4>}	124.2070	0.305	2	124.2070	0.093	2	123.7771	0.280	10	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-4:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeFe2Ge)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeFe2Ge){2|C<4>}	123.5830	0.332	2	123.5830	0.110	2	123.7771	0.280	10	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Ge-4:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeFeSi2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(GeFeSi2){2|C<4>}	123.0175	0.293	2	123.0175	0.086	2	123.7771	0.280	10	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PO3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(PO3){2|C<4>}	123.5555	0.906	2	123.5555	0.820	2	123.5555	0.820	2	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiClCN)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiClCN){2|C<4>}	123.5973	0.429	10	123.5973	0.184	10	123.5930	0.220	20	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiClNN)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiClNN){2|C<4>}	123.0380	0.857	2	123.0380	0.734	2	123.5930	0.220	20	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiClSiC)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiClSiC){2|C<4>}	123.8910	0.352	2	123.8910	0.124	2	123.5930	0.220	20	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiNOO)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiNOO){2|C<4>}	123.6120	0.890	2	123.6120	0.791	2	123.5930	0.220	20	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiNOP)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiNOP){2|C<4>}	123.6840	0.016	2	123.6840	0.000	2	123.5930	0.220	20	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiSiOO)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(SiSiOO){2|C<4>}	123.7190	0.181	2	123.7190	0.033	2	123.5930	0.220	20	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:O-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO)	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	129.9420	0.000	1	129.9420	0.000	1	129.9420	0.000	1	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5]CH)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5]CH){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	131.6310	0.000	1	131.6310	0.000	1	131.6310	0.000	1	126.5929	2.641	760	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:O-1:	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH){1|C<4>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]C[6a]2N[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	123.9540	0.000	1	123.9540	0.000	1	123.9540	0.000	1	124.1067	3.695	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	123.4045	4.547	2	123.4045	20.679	2	123.4045	20.679	2	124.1067	3.695	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:S-1:	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,5]N[5]3)(N[5]C[5]C)(S)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH){1|C<4>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,5]N[5]3)(N[5]C[5]C)(S){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	126.4990	0.000	1	126.4990	0.000	1	126.4990	0.000	1	124.1067	3.695	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	124.1067	3.695	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	126.1760	0.000	1	126.1760	0.000	1	124.3384	1.325	8	124.1067	3.695	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|S<1>}	124.1460	0.000	1	124.1460	0.000	1	124.3384	1.325	8	124.1067	3.695	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCCH){4|H<1>}	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	124.1855	1.315	4	124.1855	1.729	4	124.3384	1.325	8	124.1067	3.695	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){2|C<3>}	123.8215	0.217	2	123.8215	0.047	2	124.3384	1.325	8	124.1067	3.695	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(NS)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){3|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(NS){1|H<1>,1|O<1>}	124.2510	0.000	1	124.2510	0.000	1	124.2510	0.000	1	124.2510	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[3,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[3,6]C[6,6a]B[3,6]P[3])(N[5]C[5]C)2	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[3,6]C[6,6a]B[3,6]P[3])(N[5]C[5]C)2{1|P<4>,3|H<1>,4|C<3>}	125.7000	2.217	2	125.7000	4.917	2	125.7000	4.917	2	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[3]B[4x3,3x5,12x6]2H)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH){1|H<1>,2|B<6>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[3]B[4x3,3x5,12x6]2H)(N[5]C[5]C)2{1|B<5>,1|C<5>,2|C<4>,2|H<1>,3|B<6>}	122.5520	0.018	2	122.5520	0.000	2	124.2223	3.805	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[3]-4:N[5]-3:N[5]-3:	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[3]C[3]2H)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[3]C[3]2H)(N[5]C[5]C)2{2|C<3>,4|H<1>}	125.8925	0.507	2	125.8925	0.257	2	124.2223	3.805	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]O[5]2C)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]O[5]2C)(N[5]C[5]C)2{4|C<4>}	123.5875	1.081	2	123.5875	1.169	2	125.7311	1.500	14	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2{1|C<4>,2|C<3>,3|H<1>}	126.3280	0.669	4	126.3280	0.447	4	125.7311	1.500	14	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2{1|B<4>,1|N<3>,2|C<4>,2|H<1>}	126.3372	1.169	4	126.3372	1.367	4	125.7311	1.500	14	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]O[5]2O)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,3|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[5]O[5]2O)(N[5]C[5]C)2{2|C<4>,2|H<1>}	125.6000	0.496	4	125.6000	0.246	4	125.7311	1.500	14	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{4|C<4>,4|H<1>}	126.3582	0.607	6	126.3582	0.368	6	126.3582	0.368	6	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2{7|C<4>}	124.4380	0.031	2	124.4380	0.001	2	124.4380	0.001	2	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ga-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](GaC[5]Cl2)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](GaC[5]Cl2)(N[5]C[5]C)2{2|C<4>}	123.3055	0.469	2	123.3055	0.220	2	122.4471	0.580	9	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ga-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](GaC[5]ClH)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](GaC[5]ClH)(N[5]C[5]C)2{2|C<4>}	121.7175	0.303	4	121.7175	0.092	4	122.4471	0.580	9	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ga-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](GaC[6a]Cl2)(N[5]C[5]C)2	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](GaC[6a]Cl2)(N[5]C[5]C)2{2|C<4>}	122.8477	0.171	3	122.8477	0.029	3	122.4471	0.580	9	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ga[4]-4:N[5]-3:N[5]-3:	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Ga[4]P[4]2H)(N[5]C[5]C)2	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>,2|P<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Ga[4]P[4]2H)(N[5]C[5]C)2{1|Ga<4>,2|Si<4>,2|H<1>}	125.4998	0.286	4	125.4998	0.082	4	125.4998	0.082	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ga[5]-4:N[5]-3:N[5]-3:	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Ga[5]N[5]2P)(N[5]C[5]C)2	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH){1|P<2>,2|C<4>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Ga[5]N[5]2P)(N[5]C[5]C)2{2|C<4>,4|C<3>}	121.7360	1.974	2	121.7360	3.898	2	121.7360	3.898	2	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ge-4:N[5]-3:N[5]-3:	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](GeC[6a]2C)(N[5]C[5]C)2	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](GeC[6a]2C)(N[5]C[5]C)2{2|C<4>}	124.0570	0.100	4	124.0570	0.010	4	124.0570	0.010	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ge[3]-4:N[5]-3:N[5]-3:	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[3]Ge[3]S[3]Fe)(N[5]C[5]C)2	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH){1|Fe<5>,1|Ge<4>,1|S<2>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[3]Ge[3]S[3]Fe)(N[5]C[5]C)2{1|Fe<5>,1|C<3>,2|C<4>}	123.3353	1.141	4	123.3353	1.302	4	123.3353	1.302	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ge[5]-4:N[5]-3:N[5]-3:	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[5]C[5]2Cl)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){1|Cl<1>,4|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[5]C[5]2Cl)(N[5]C[5]C)2{2|C<3>,2|C<4>,4|H<1>}	122.1360	0.307	2	122.1360	0.094	2	122.1360	0.094	2	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ge[6]-4:N[5]-3:N[5]-3:	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[6]N[6]2O)(N[5]C[5]C)2	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH){1|O<1>,2|C<4>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[6]N[6]2O)(N[5]C[5]C)2{2|C<4>,4|C<3>}	123.5080	0.325	4	123.5080	0.106	4	123.5080	0.106	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Si[3]-4:N[5]-3:N[5]-3:	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3]C[3]2C)(N[5]C[5]C)2	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){2|C<4>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3]C[3]2C)(N[5]C[5]C)2{2|C<3>,2|C<4>}	121.9520	0.648	2	121.9520	0.420	2	122.2120	0.246	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Si[3]-4:N[5]-3:N[5]-3:	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|N<2>,1|N<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3]C[3]N[3]N)(N[5]C[5]C)2{1|Si<4>,2|C<3>,2|C<4>}	122.4720	0.218	2	122.4720	0.047	2	122.2120	0.246	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Si[5]-4:N[5]-3:N[5]-3:	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[5]C[5x3,6x5,20x6]N[5]B)(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|B<4>,1|C<6>,1|N<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	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>}	124.4800	0.632	2	124.4800	0.400	2	124.8590	0.397	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Si[5]-4:N[5]-3:N[5]-3:	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[5]N[5]2As)(N[5]C[5]C)2	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|As<2>,2|C<4>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[5]N[5]2As)(N[5]C[5]C)2{2|C<3>,4|C<4>}	125.2380	0.467	2	125.2380	0.218	2	124.8590	0.397	4	124.2954	3.049	65	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B-5:N[5]-3:N[5]-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](BC[5]NiCH)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](BC[5]NiCH)(N[5]C[5]C)2{2|C<4>}	123.0875	0.353	4	123.0875	0.125	4	123.0875	0.125	4	123.5263	0.414	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ge[5,5]-5:N[5]-3:N[5]-3:	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[5,5]S[5]4)(N[5]C[5]C)2	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH){2|C<4>,4|S<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[5,5]S[5]4)(N[5]C[5]C)2{2|C<4>,4|C<3>}	123.3960	0.095	2	123.3960	0.009	2	123.3960	0.009	2	123.5263	0.414	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Ge[5]-5:N[5]-3:N[5]-3:	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){2|Cl<1>,2|C<4>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Ge[5]O[5]2Cl2)(N[5]C[5]C)2{2|C<3>,2|C<4>}	123.2690	0.280	2	123.2690	0.078	2	123.2690	0.078	2	123.5263	0.414	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Si[3,5]-5:N[5]-3:N[5]-3:	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3,5]C[5x3,6x5,20x6]C[3]2N[5])(N[5]C[5]C)2	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3,5]C[5x3,6x5,20x6]C[3]2N[5])(N[5]C[5]C)2{1|C<6>,3|C<3>,3|C<4>,4|B<6>}	123.7045	0.571	2	123.7045	0.326	2	123.7045	0.326	2	123.5263	0.414	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	Si[3,6]-5:N[5]-3:N[5]-3:	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3,6]N[6]2O[3]2)(N[5]C[5]C)2	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|N<3>,2|O<2>}	C(N[5]C[5]2)(CH3)2(H)	C[5](Si[3,6]N[6]2O[3]2)(N[5]C[5]C)2{2|C<4>,4|C<3>}	124.6130	0.638	2	124.6130	0.407	2	124.6130	0.407	2	123.5263	0.414	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	6:3:2:	P[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]C[5]P[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]P[5]C)(NC)	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|C<3>,6|B<6>}	C(N[5]C[5]P[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]P[5]C)(NC){1|C<3>,4|H<1>,5|B<6>}	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	115.6950	1.057	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	6:3:2:	Si[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[5]C[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC)	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(N[5]Si[5]C[5])(CH3)2(H)	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>}	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1	115.6950	1.057	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:2:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:O-2:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCCO)	C(N[5]C[5]N[5])(CH3)2(OMo)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCCO){2|H<1>}	C(N[5]C[5]N[5])(CH3)2(OMo)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mo<6>,1|H<1>}	133.2690	0.656	2	133.2690	0.431	2	133.2690	0.431	2	133.2690	0.431	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:3:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC3)	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC3){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0590	6.406	2	124.0590	41.042	2	124.0590	41.042	2	124.0590	41.042	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	2:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	S[5]-2:N[5]-3:S-1:	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](S[5]C[5,5])(N[5]C[5]C)(S)	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](S[5]C[5,5])(N[5]C[5]C)(S){1|O<1>,2|C<4>}	124.3150	0.000	1	124.3150	0.000	1	124.3150	0.000	1	124.3150	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[4,5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[4,5]N[4,5]S[4])(C[5]C[5]H)(CC3)	C(N[5]C[4,5]C[5])(CH3)3	C[5](C[5]N[4,5]H)(N[5]C[4,5]C)(H)	N[5](C[4,5]N[4,5]S[4])(C[5]C[5]H)(CC3){1|In<5>,1|H<1>}	C(N[5]C[4,5]C[5])(CH3)3	C[5](C[5]N[4,5]H)(N[5]C[4,5]C)(H){1|In<5>,1|S<2>}	124.2440	2.036	2	124.2440	4.147	2	124.2440	4.147	2	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|Cl<1>,1|H<1>,3|C<4>}	C(N[5]C[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|C<4>}	122.6450	0.000	1	124.8307	2.132	4	124.8307	2.132	4	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5,5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){2|Br<1>,1|H<1>,2|C<4>}	C(N[5]C[5,5]C[5])(CH3)3	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|C<4>}	125.5593	0.111	3	124.8307	2.132	4	124.8307	2.132	4	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|Ge<4>,1|B<4>}	120.2460	1.109	2	122.0503	10.382	3	122.0503	10.382	3	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|Ge<2>,1|C<4>}	125.6590	0.000	1	122.0503	10.382	3	122.0503	10.382	3	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)3	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(S){2|C<3>}	123.4920	0.000	1	123.4920	0.000	1	123.3320	0.051	2	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)3	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(S){2|C<3>}	123.1720	0.000	1	123.1720	0.000	1	123.3320	0.051	2	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-3:N[5]-3:H-1:	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]N[5,6]B[6])(N[5]C[5]C)(H)	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3){1|B<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]N[5,6]B[6])(N[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<4>}	125.1230	0.000	1	125.1230	0.000	1	125.1230	0.000	1	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC3){2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	121.1970	0.195	2	121.1970	0.038	2	121.1970	0.038	2	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|O<2>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	122.8275	1.309	2	122.8275	1.713	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	122.1090	0.861	2	120.9417	1.181	6	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	120.3580	0.598	4	120.9417	1.181	6	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<3>}	123.4680	0.035	2	121.7640	3.116	14	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	121.3734	1.642	9	121.7640	3.116	14	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	121.7997	2.423	3	121.7640	3.116	14	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Al)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Al<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Al)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.1740	0.000	1	126.1740	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]B)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.5070	0.552	2	126.5070	0.304	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Fe<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Fe)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.7550	0.000	1	125.7550	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	124.8933	0.658	7	125.5903	1.080	58	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.2453	1.683	3	125.5903	1.080	58	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.5861	0.946	42	125.5903	1.080	58	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Co<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	127.0353	1.215	4	125.5903	1.080	58	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Fe<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|H<1>}	125.7070	0.000	1	125.5903	1.080	58	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Sr<7>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sr<7>,1|H<1>}	125.7830	0.000	1	125.5903	1.080	58	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]In)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|In<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]In)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.5380	0.000	1	127.5380	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Os)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Os<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Os)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.0060	0.000	1	125.0060	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.6980	0.000	1	126.7125	2.058	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.7270	0.000	1	126.7125	2.058	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]P[3])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]P[3])(N[5]C[5]C)(H){1|C<4>,1|H<1>,2|P<3>}	125.2840	0.000	1	125.2840	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pd<4>,1|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	125.5220	0.076	2	125.1908	0.407	4	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Pd)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	124.8595	0.882	2	125.1908	0.407	4	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Pt)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pt<2>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Pt)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.1430	0.000	1	127.1815	0.003	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Pt)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pt<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Pt)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.2200	0.000	1	127.1815	0.003	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Ru)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Ru<6>,1|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]Ru)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	124.8218	0.369	4	124.8218	0.136	4	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]Si[4]N[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Si<3>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]Si[4]N[5])(N[5]C[5]C)(H){1|C<4>,1|H<1>,2|N<3>}	125.0140	0.017	2	125.0140	0.000	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(COPP)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){2|H<1>}	C(N[5]C[5]2)(COPP)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	125.9440	0.000	1	125.9440	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3){1|H<1>,1|N<2>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|I<1>,1|N<2>}	125.0680	0.000	1	125.0680	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	124.5750	1.539	62	123.8282	3.980	84	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>}	121.7237	1.602	22	123.8282	3.980	84	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|O<2>}	126.9718	0.507	5	126.7082	0.453	9	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|O<3>}	126.3787	0.778	4	126.7082	0.453	9	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	124.5951	0.460	16	124.4827	0.613	213	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	124.4082	0.803	174	124.4827	0.613	213	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	124.7198	0.383	6	124.4827	0.613	213	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	123.1510	0.000	1	124.4827	0.613	213	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|S<2>}	125.4350	0.492	2	124.4827	0.613	213	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|S<2>}	125.4270	0.556	2	124.4827	0.613	213	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<2>}	125.0892	0.488	12	124.4827	0.613	213	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	124.6100	0.352	2	124.6100	0.124	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	120.0877	0.481	4	120.0877	0.232	4	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	122.4814	1.152	5	122.4814	1.326	5	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ca)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ca)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ca<5>,1|B<4>}	123.2613	1.177	3	123.2613	1.385	3	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<3>,1|C<4>}	122.1930	0.389	4	122.2542	1.701	11	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	122.8962	0.459	6	122.2542	1.701	11	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<5>,1|C<4>}	118.6470	0.000	1	122.2542	1.701	11	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC3){1|H<1>,1|P<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<4>,1|P<3>}	119.7470	0.000	1	119.7470	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|B<4>}	124.5335	0.680	4	124.7450	0.686	12	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	124.8508	0.918	8	124.7450	0.686	12	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|B<4>}	123.9614	1.639	27	122.9993	3.992	42	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|B<4>}	122.8455	0.132	2	122.9993	3.992	42	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	121.3207	0.718	7	122.9993	3.992	42	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	121.5413	1.225	4	122.9993	3.992	42	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<4>}	118.9550	0.489	2	122.9993	3.992	42	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<4>,1|C<4>}	123.0530	0.000	1	123.4843	0.320	3	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<5>,1|C<4>}	123.7000	0.601	2	123.4843	0.320	3	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|B<4>}	123.0375	0.525	2	122.1427	4.230	12	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<5>,1|C<4>}	124.0460	0.684	2	122.1427	4.230	12	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	119.7985	1.629	4	122.1427	4.230	12	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	123.0880	1.069	4	122.1427	4.230	12	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CIrHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CIrHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<5>,1|C<4>}	128.4485	0.196	2	127.8842	4.912	5	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CIrHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CIrHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	126.1715	2.798	2	127.8842	4.912	5	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CIrHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CIrHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	130.1810	0.000	1	127.8842	4.912	5	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|B<4>}	125.2950	0.317	3	122.5842	4.770	11	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	123.1350	0.000	1	122.5842	4.770	11	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	121.1328	1.844	5	122.5842	4.770	11	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	121.8710	0.048	2	122.5842	4.770	11	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	123.1410	0.981	2	122.0609	2.835	32	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<2>,1|C<4>}	125.0385	0.138	4	122.0609	2.835	32	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	121.4621	1.286	24	122.0609	2.835	32	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	122.2110	1.547	2	122.0609	2.835	32	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<3>,1|C<4>}	124.0987	0.438	4	122.6881	4.746	8	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	121.2775	2.361	4	122.6881	4.746	8	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|B<4>}	122.7415	0.334	4	122.2897	0.964	22	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|B<4>}	120.8490	0.000	1	122.2897	0.964	22	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	122.7000	0.000	1	122.2897	0.964	22	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	122.4410	1.527	2	122.2897	0.964	22	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<5>,1|C<4>}	123.1530	0.871	2	122.2897	0.964	22	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	121.8292	0.968	10	122.2897	0.964	22	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	123.1895	0.216	2	122.2897	0.964	22	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRhHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRhHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<5>,1|C<4>}	127.9200	1.086	2	127.5900	0.917	3	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRhHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRhHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	126.9300	0.000	1	127.5900	0.917	3	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	122.6528	0.756	17	122.3603	1.535	19	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	118.3470	0.000	1	122.3603	1.535	19	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	121.4010	0.000	1	122.3603	1.535	19	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRuHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRuHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	126.5080	0.000	1	127.9175	3.973	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRuHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRuHH)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	129.3270	0.000	1	127.9175	3.973	2	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	123.4980	0.000	1	123.4980	0.000	1	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Sr)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Sr)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sr<7>,1|B<4>}	122.0577	0.933	3	122.0577	0.871	3	123.9390	3.594	610	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CCHH)(CH3)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(CH3)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|N<2>}	125.8380	0.000	1	125.8380	0.000	1	125.4367	6.069	9	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	127.1910	0.000	1	127.1910	0.000	1	125.4367	6.069	9	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	125.9140	0.000	1	125.9140	0.000	1	125.4367	6.069	9	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	126.2530	0.000	1	126.2530	0.000	1	125.4367	6.069	9	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	124.5520	5.142	2	123.9167	9.420	4	125.4367	6.069	9	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3){1|N<3>,2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	123.6010	0.000	1	123.9167	9.420	4	125.4367	6.069	9	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3){2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	122.9620	0.000	1	123.9167	9.420	4	125.4367	6.069	9	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3){2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	128.0670	0.000	1	128.0670	0.000	1	125.4367	6.069	9	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5,6]-3:N[5]-3:H-1:	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3){1|B<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|B<4>,1|C<4>,3|H<1>}	126.8840	0.000	1	126.8840	0.000	1	126.8840	0.000	1	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Al)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Al)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Al<4>,1|H<1>}	124.2400	0.000	1	124.2400	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|B<4>,1|H<1>}	118.9685	0.861	2	118.9685	0.741	2	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Fe)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Fe)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Fe<4>,1|H<1>}	123.9080	0.000	1	123.9080	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H){2|H<1>,2|N<2>}	125.3330	1.714	2	125.5273	0.714	6	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Ru<6>,1|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]2)(N[5]C[5]C)(H){1|Ru<6>,1|H<1>,2|N<3>}	125.6245	0.416	4	125.5273	0.714	6	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	127.6944	0.656	7	127.6944	0.431	7	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Al<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Al<4>,1|H<1>}	126.7860	0.000	1	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|B<4>,1|H<1>}	126.8090	0.049	2	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){2|H<1>}	126.4664	0.985	42	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<3>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<3>}	126.8360	0.157	2	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<4>}	125.0340	0.000	1	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Fe<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Fe<4>,1|H<1>}	126.8080	0.000	1	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|In<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|In<4>,1|H<1>}	125.4680	0.000	1	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Os<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Os<4>,1|H<1>}	128.1110	0.000	1	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Pd<4>,1|H<1>}	127.0990	0.328	2	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pt<2>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Pt<2>,1|H<1>}	126.2140	0.000	1	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pt<4>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Pt<4>,1|H<1>}	125.5240	0.000	1	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Si<3>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Si<3>,1|H<1>}	123.3350	0.403	2	126.3805	1.205	57	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Co<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Co)(N[5]C[5]C)(H){2|H<1>}	126.0655	1.443	4	126.0655	2.082	4	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Fe<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Fe)(N[5]C[5]C)(H){2|H<1>}	127.8160	0.000	1	127.8160	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Sr)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Sr<7>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Sr)(N[5]C[5]C)(H){2|H<1>}	128.5070	0.000	1	128.5070	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(H){1|N<2>,1|N<3>,2|H<1>}	127.8370	0.000	1	127.8370	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pd<4>,1|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|Pd<4>,1|H<1>,2|C<3>}	126.9065	0.121	2	126.9065	0.015	2	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(COPP)(CH3)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){2|H<1>}	C(N[5]C[5]2)(COPP)(CH3)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	125.8710	0.000	1	125.8710	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|In<4>,1|H<1>}	123.7340	0.000	1	123.7340	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Os<4>,1|H<1>}	120.8170	0.000	1	120.8170	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<3>}	121.3370	0.000	1	120.0530	3.297	2	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<4>}	118.7690	0.000	1	120.0530	3.297	2	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|P<3>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|H<1>,1|P<3>}	124.2550	0.000	1	124.2550	0.000	1	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Pt<2>,1|H<1>}	120.4010	0.000	1	121.8110	3.976	2	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Pt<4>,1|H<1>}	123.2210	0.000	1	121.8110	3.976	2	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){1|Si<3>,1|H<1>}	122.9930	0.100	2	122.9930	0.010	2	125.8433	4.297	93	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]N)(I)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3){1|H<1>,1|N<2>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]N)(I){2|H<1>}	127.2870	0.000	1	127.2870	0.000	1	127.2870	0.000	1	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|H<1>,1|O<1>}	122.8160	0.724	3	123.1296	2.517	5	123.1296	2.517	5	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|H<1>,1|O<1>}	125.6350	0.000	1	123.1296	2.517	5	123.1296	2.517	5	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<4>,1|H<1>,1|O<1>}	121.5650	0.000	1	123.1296	2.517	5	123.1296	2.517	5	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(S){2|H<1>}	127.1232	0.481	16	127.1232	0.231	16	126.9621	0.361	19	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<4>,1|P<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(S){1|H<1>,1|P<4>}	126.3590	0.057	2	126.3590	0.003	2	126.9621	0.361	19	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(S){1|N<2>,1|N<3>,2|H<1>}	125.5900	0.000	1	125.5900	0.000	1	126.9621	0.361	19	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:Se-1:	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]2)(N[5]C[5]C)(Se)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]2)(N[5]C[5]C)(Se){2|H<1>,2|N<2>}	127.1290	0.000	1	127.1290	0.000	1	127.1290	0.000	1	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	P[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]P[5])(CH3)3	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]P[5])(CH3)3	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|B<3>,1|C<4>}	117.5760	0.346	2	117.5760	0.120	2	117.5760	0.120	2	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	Se[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:O-1:	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3)	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3){2|C<3>}	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	122.6160	0.000	1	122.6160	0.000	1	122.6160	0.000	1	124.2464	4.354	756	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CCHH)(CH3)2	C[5](C[5]C[3]C[5])(N[5]C[5]C)(NC)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(CH3)2	C[5](C[5]C[3]C[5])(N[5]C[5]C)(NC){1|O<1>,2|C<4>,2|H<1>}	124.4360	0.000	1	124.4360	0.000	1	124.1038	0.687	4	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]H)(N[5]C[5]C)(NC)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]H)(N[5]C[5]C)(NC){1|C<3>,1|O<1>}	124.8470	0.000	1	124.8470	0.000	1	124.1038	0.687	4	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|C<4>,1|O<1>,2|C<3>}	122.9260	0.000	1	123.5660	0.819	2	124.1038	0.687	4	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	124.2060	0.000	1	123.5660	0.819	2	124.1038	0.687	4	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NN){2|C<4>}	126.6855	0.979	2	126.6855	0.959	2	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NC)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NC){2|H<1>}	127.6686	1.790	8	127.6686	3.202	8	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NH)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NH){2|H<1>}	124.4475	0.455	2	124.4475	0.207	2	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NN){2|H<1>}	128.2195	0.747	2	128.2195	0.559	2	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NSi)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NSi){2|H<1>}	126.1214	1.281	26	126.1214	1.641	26	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NSi[3])	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NSi[3]){2|H<1>}	124.9750	0.045	2	124.9750	0.002	2	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NSi[4,5])	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NSi[4,5]){2|H<1>}	126.6778	2.963	4	126.6778	8.778	4	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NTi)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NTi){2|H<1>}	125.9914	0.944	13	125.9914	0.891	13	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NW)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NW){2|H<1>}	125.1790	0.148	2	125.1790	0.022	2	126.2970	2.340	61	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(OLi)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(OLi){2|H<1>}	124.8915	0.270	4	124.8915	0.073	4	125.0830	0.238	5	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(ORe)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(ORe){2|H<1>}	125.8490	0.000	1	125.8490	0.000	1	125.0830	0.238	5	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SAg)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SAg){2|H<1>}	127.5430	0.000	1	127.5430	0.000	1	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SAl)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SAl){2|H<1>}	128.0085	0.019	2	128.0085	0.000	2	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SBi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SBi){2|H<1>}	127.8763	0.406	3	127.8763	0.165	3	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCd){2|H<1>}	127.7336	0.381	42	127.7336	0.145	42	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCo){2|H<1>}	127.4313	0.312	14	127.4313	0.097	14	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCu)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SCu){2|H<1>}	127.4780	0.000	1	127.4780	0.000	1	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SFe)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SFe){2|H<1>}	127.5050	0.000	1	127.5050	0.000	1	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	127.7748	0.509	28	127.7748	0.259	28	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SHg){2|H<1>}	127.5633	0.522	25	127.5633	0.272	25	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn){2|H<1>}	127.9744	1.592	16	127.9744	2.536	16	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn[4])	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SIn[4]){2|H<1>}	128.1312	1.260	4	128.1312	1.589	4	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SMn){2|H<1>}	127.3360	0.130	2	127.3360	0.017	2	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SNi){2|H<1>}	126.9889	0.493	15	126.9889	0.243	15	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SPd){2|H<1>}	128.3500	1.028	4	128.3500	1.058	4	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SZn){2|H<1>}	127.6636	0.288	18	127.6636	0.083	18	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<5>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(SZr){2|H<1>}	127.5187	0.414	4	127.5187	0.172	4	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SHg)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SHg){2|H<1>}	126.9093	0.442	8	126.9093	0.195	8	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SNi)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SNi){2|H<1>}	126.4960	0.000	1	126.4960	0.000	1	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SPd)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SPd){2|H<1>}	126.8130	0.573	2	126.8130	0.328	2	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SZr)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SZr){2|H<1>}	126.7480	0.000	1	126.7480	0.000	1	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(SS)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|Cu<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Cu)(N[5]C[5]C)(SS){2|H<1>}	128.8435	0.037	2	128.8435	0.001	2	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(SS)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|Zn<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(SS){2|H<1>}	128.5390	0.577	2	128.5390	0.333	2	127.6314	0.514	196	127.2244	1.473	266	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	B[5a]-3:N[5]-3:N[5]-3:	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](B[5a]O[5a]2)(N[5]C[5]C)2	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|O<2>}	C(N[5]C[5]2)(CH3)3	C[5](B[5a]O[5a]2)(N[5]C[5]C)2{2|C<3>,2|H<1>}	128.7615	1.483	2	128.7615	2.199	2	128.7615	2.199	2	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PNV)	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PNV){1|C<4>,1|H<1>}	129.1970	0.000	1	129.1970	0.000	1	129.1970	0.000	1	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[6]C[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[6]C[6]2)(N[5]C[5]C)2{1|B<4>,1|C<4>,4|H<1>}	131.8730	0.882	4	131.8730	0.778	4	131.8730	0.778	4	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3){2|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|F<1>}	128.6260	0.018	2	128.6260	0.000	2	128.6260	0.000	2	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(BC[5a]2)	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(BC[5a]2){2|C<4>}	127.8615	0.641	2	127.8615	0.411	2	128.5500	0.856	4	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:B-3:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(BCl2){2|H<1>}	129.2385	0.511	2	129.2385	0.261	2	128.5500	0.856	4	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CC[6a]C)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CC[6a]C){2|C<4>}	129.8785	0.281	2	129.8785	0.079	2	128.7786	4.358	21	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(COO){2|C<4>}	127.2469	1.731	8	127.2469	2.996	8	128.7786	4.358	21	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CCC){2|H<1>}	129.8083	1.786	3	129.8083	3.191	3	128.7786	4.358	21	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CC[5]C)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CC[5]C){2|H<1>}	131.5213	0.584	4	131.5213	0.341	4	128.7786	4.358	21	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(COO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(COO){2|H<1>}	127.5765	0.224	2	127.5765	0.050	2	128.7786	4.358	21	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(COO)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(COO){2|C<3>,2|H<1>}	127.9780	0.143	2	127.9780	0.020	2	128.7786	4.358	21	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NCC)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NCC){2|H<1>}	130.2930	0.821	6	130.2930	0.674	6	129.3512	3.319	22	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NCH)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NCH){2|H<1>}	129.7525	0.528	2	129.7525	0.279	2	129.3512	3.319	22	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NCuC){2|H<1>}	129.0720	2.190	10	129.0720	4.797	10	129.3512	3.319	22	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NPdC)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NPdC){2|H<1>}	128.4357	2.089	4	128.4357	4.365	4	129.3512	3.319	22	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-3:	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(OLi2)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]B)(N[5]C[5]C)(OLi2){2|H<1>}	125.8790	0.738	4	125.8790	0.545	4	125.8790	0.545	4	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	P[3]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](P[3]P[3,3]2)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|P<3>}	C(N[5]C[5]2)(CH3)3	C[5](P[3]P[3,3]2)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|P<3>}	127.8140	0.000	1	127.8140	0.000	1	127.8140	0.000	1	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	Si[4]-3:C[5]-3:N[5]-3:	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)3	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	124.3070	0.054	2	124.3070	0.003	2	124.3070	0.003	2	128.8204	4.612	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	132.0775	0.153	2	132.0775	0.024	2	132.0775	0.024	2	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	123.2910	0.546	2	123.2910	0.298	2	124.3552	2.003	24	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	124.4030	1.772	10	124.4030	3.141	10	124.3552	2.003	24	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	126.1825	0.892	2	126.1825	0.795	2	124.3552	2.003	24	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3){2|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	123.8295	0.060	2	123.8295	0.004	2	124.3552	2.003	24	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Co)(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Co)(C[5]C[5]C)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<3>,1|C<4>}	124.7368	0.459	6	124.7368	0.210	6	124.3552	2.003	24	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	122.7340	0.040	2	122.7340	0.002	2	124.3552	2.003	24	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:P-4:	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PMn2N)	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(PMn2N){1|C<4>,1|H<1>}	133.1570	0.000	1	133.1570	0.000	1	133.1570	0.000	1	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(BC[6a]2H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(BC[6a]2H){2|H<1>}	130.2490	0.538	4	130.2490	0.290	4	130.2490	0.290	4	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CCHH){2|H<1>}	129.5993	2.551	3	129.5993	6.510	3	129.5993	6.510	3	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:In-4:	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(InH3)	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(InH3){2|H<1>}	126.6400	0.000	1	126.6400	0.000	1	126.6400	0.000	1	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:Si-4:	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(SiC3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(SiC3){2|C<4>}	126.3130	0.235	2	126.3130	0.055	2	126.3130	0.055	2	126.2405	9.989	37	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)3	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	127.4330	0.000	1	127.4330	0.000	1	127.4330	0.000	1	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)3	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	126.2625	0.346	2	126.2625	0.120	2	126.2625	0.120	2	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	N[5](C[5]C[3,5]O)2(CC3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.6910	2.320	4	124.6910	5.384	4	124.6910	5.384	4	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3){2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.6540	0.000	1	121.6540	0.000	1	123.9515	4.954	4	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.6340	0.000	1	123.6340	0.000	1	123.9515	4.954	4	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.5180	0.000	1	125.2590	6.062	2	123.9515	4.954	4	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	127.0000	0.000	1	125.2590	6.062	2	123.9515	4.954	4	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	126.5083	0.858	3	125.8462	2.244	4	125.9146	5.769	8	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	123.8600	0.000	1	125.8462	2.244	4	125.9146	5.769	8	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	128.3460	0.000	1	128.3460	0.000	1	125.9146	5.769	8	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	124.7815	5.014	2	124.7815	25.141	2	125.9146	5.769	8	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3){1|N<3>,2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	126.0230	0.000	1	126.0230	0.000	1	125.9146	5.769	8	125.2787	4.850	20	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	In-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](InGa[6]CC)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](InGa[6]CC)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	125.4000	0.000	1	125.4000	0.000	1	125.4000	0.000	1	125.4000	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	5:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	In-5:N[5]-3:N[5]-3:	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](InC[5]Br3)(N[5]C[5]C)2	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](InC[5]Br3)(N[5]C[5]C)2{2|H<1>}	126.4370	0.535	2	126.4370	0.286	2	126.4370	0.286	2	126.4370	0.286	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:5:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-5:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCeCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH){2|H<1>,3|C<4>}	C(N[5]C[5]2)(CCeCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	122.1100	0.346	2	122.1100	0.120	2	124.5550	8.396	6	124.5550	8.396	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:5:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-5:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCeCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCeCCO)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ce<10>,1|C<4>}	123.3375	0.269	2	123.3375	0.073	2	124.5550	8.396	6	124.5550	8.396	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:5:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-5:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CRu3C)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRu3C)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	128.2175	0.193	2	128.2175	0.037	2	124.5550	8.396	6	124.5550	8.396	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:5:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-5:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CRuH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	C(N[5]C[5]2)(CRuH3)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	123.4040	0.000	1	123.4040	0.000	1	123.4040	0.000	1	123.4040	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:5:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-5:H-1:H-1:	B[6,6]-4:N[5]-3:N[5]-3:	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCeCCO)(H)2	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH){2|H<1>,3|C<4>}	C(N[5]C[5]2)(CCeCCO)(H)2	C[5](B[6,6]C[6,6]2H)(N[5]C[5]C)2{4|C<4>,4|H<1>}	126.1865	0.327	2	126.1865	0.107	2	126.1865	0.107	2	126.1865	0.107	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:5:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-5:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CIrH3)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CIrH3)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	121.9730	0.109	2	121.9730	0.012	2	121.7733	0.059	4	121.7733	0.059	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:5:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-5:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRhH3)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRhH3)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	121.6320	0.000	1	121.6320	0.000	1	121.7733	0.059	4	121.7733	0.059	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:5:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-5:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRuH3)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CRuH3)(CH3)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	121.5150	0.000	1	121.5150	0.000	1	121.7733	0.059	4	121.7733	0.059	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0560	0.031	2	124.0560	0.001	2	123.8849	0.083	8	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7798	0.378	4	123.7798	0.143	4	123.8849	0.083	8	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCHH)	C(CC[5,6]HH)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CC[5,6]HH)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9240	0.208	2	123.9240	0.043	2	123.8849	0.083	8	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	127.1090	0.000	1	127.1090	0.000	1	124.4559	2.713	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.4550	0.000	1	125.4550	0.000	1	124.4559	2.713	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	122.6370	0.000	1	122.6370	0.000	1	124.4559	2.713	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	125.0910	0.000	1	125.0910	0.000	1	124.4559	2.713	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	123.7770	0.000	1	123.7770	0.000	1	124.4559	2.713	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	124.6720	0.000	1	124.6720	0.000	1	124.4559	2.713	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	122.4500	0.000	1	122.4500	0.000	1	124.4559	2.713	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.2740	0.000	1	124.2740	0.000	1	124.9795	0.995	2	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.6850	0.000	1	125.6850	0.000	1	124.9795	0.995	2	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[3x6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[3x6]HH)	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[3x6]HH){2|C<3>}	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9865	1.600	4	123.9865	2.559	4	123.9865	2.559	4	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5]HH)	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.9915	0.943	2	123.9915	0.888	2	123.5505	0.965	8	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5]HH)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.7120	0.940	2	123.7120	0.884	2	123.5505	0.965	8	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5]HH)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.2493	1.180	4	123.2493	1.393	4	123.5505	0.965	8	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.7804	0.837	10	126.7804	0.701	10	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.1240	0.000	1	126.1240	0.000	1	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	125.4170	0.000	1	125.4170	0.000	1	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	126.3180	0.000	1	126.3180	0.000	1	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	125.1548	0.594	4	125.1548	0.353	4	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<3>}	124.1040	0.977	2	124.1040	0.955	2	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2Mn)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]2Mn)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<8>,1|C<3>}	127.6920	0.216	2	127.6920	0.047	2	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	126.4515	0.564	2	126.4515	0.318	2	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	118.3980	0.000	1	118.3980	0.000	1	125.8823	3.864	24	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.9610	0.644	10	124.9610	0.415	10	125.1918	1.196	13	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.8010	0.000	1	124.8010	0.000	1	125.1918	1.196	13	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	128.3140	0.000	1	128.3140	0.000	1	125.1918	1.196	13	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	124.7680	0.000	1	124.7680	0.000	1	125.1918	1.196	13	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S){2|H<1>}	124.3055	0.557	4	124.3055	0.311	4	124.3055	0.311	4	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.1380	1.728	4	124.1380	2.985	4	124.2427	2.233	14	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0180	0.675	2	124.0180	0.455	2	124.2427	2.233	14	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.8975	0.802	6	123.8975	0.642	6	124.2427	2.233	14	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	125.7125	3.350	2	125.7125	11.220	2	124.2427	2.233	14	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	125.6710	0.000	1	125.6710	0.000	1	126.0638	4.327	12	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	130.8500	0.000	1	130.8500	0.000	1	126.0638	4.327	12	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.0910	0.000	1	126.0910	0.000	1	126.0638	4.327	12	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|B<4>,1|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	126.1467	0.440	3	126.1467	0.194	3	126.0638	4.327	12	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	123.7805	2.493	2	123.7805	6.213	2	126.0638	4.327	12	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	124.6940	0.475	2	124.6940	0.226	2	126.0638	4.327	12	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	127.3825	0.176	2	127.3825	0.031	2	126.0638	4.327	12	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6]HH){2|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	124.8765	0.325	2	124.8765	0.105	2	124.8765	0.105	2	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	121.5430	0.000	1	121.5430	0.000	1	125.1506	3.671	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	124.9150	0.000	1	124.9150	0.000	1	125.1506	3.671	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|B<4>,1|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]B)(N[5]C[5]C)(H){2|H<1>}	125.1997	0.228	3	125.1997	0.052	3	125.1506	3.671	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	126.9985	1.419	2	126.9985	2.014	2	125.1506	3.671	7	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	P-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHP)	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHP){1|C<4>,1|H<1>}	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	124.8630	0.000	1	124.8630	0.000	1	125.9293	2.197	3	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	P-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHP)	C(PC[6a]2Pd)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHP){1|C<3>,1|H<1>}	C(PC[6a]2Pd)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	125.3030	0.000	1	125.3030	0.000	1	125.9293	2.197	3	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	P-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHP)	C(PC[6a]2Ru)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHP){1|C<3>,1|H<1>}	C(PC[6a]2Ru)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<3>}	127.6220	0.000	1	127.6220	0.000	1	125.9293	2.197	3	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	P-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CHHP)	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>}	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){1|Ir<8>,1|H<1>}	127.5970	0.000	1	127.5970	0.000	1	127.5970	0.000	1	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	Si-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CSiHH)	C(SiC[6a]CC)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CSiHH){2|C<3>}	C(SiC[6a]CC)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.1145	0.026	2	124.1145	0.001	2	124.1145	0.001	2	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[5]HH)	C(C[5]C[5]P[5]Fe)(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C(C[5]C[5]P[5]Fe)(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	127.6947	0.873	4	127.6947	0.762	4	127.6947	0.762	4	125.0855	3.130	115	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[6,6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	124.4640	0.588	2	124.4640	0.346	2	124.4640	0.346	2	124.4640	0.346	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6]HH)	C(C[6]C[6]2Pd)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<3>,1|C<4>}	C(C[6]C[6]2Pd)(N[5]C[5]2)(H)2	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	126.6483	2.813	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CH3){2|H<1>}	125.2390	0.000	1	125.2390	0.000	1	125.2390	0.000	1	126.6483	2.813	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH)	C(C[5]C[5]N[5]W)(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]W)(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<7>}	128.1920	0.000	1	128.1920	0.000	1	128.1920	0.000	1	126.6483	2.813	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH)	C(C[5]C[5]N[5]Mo)(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]Mo)(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<7>,1|C<4>}	128.0060	0.000	1	128.0060	0.000	1	128.0060	0.000	1	126.6483	2.813	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)2(CC[6]HH){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	123.3130	0.409	2	123.3130	0.167	2	123.3130	0.167	2	123.3897	0.244	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6]HH){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.9870	0.000	1	123.4665	0.542	2	123.4665	0.542	2	123.3897	0.244	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)2(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)2(CC[6]HH){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	122.9460	0.000	1	123.4665	0.542	2	123.4665	0.542	2	123.3897	0.244	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.3440	3.191	4	124.3440	10.184	4	124.3440	10.184	4	124.0332	4.757	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	123.3820	1.196	2	123.3820	1.431	2	123.7225	0.658	4	124.0332	4.757	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C-4:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CCCH)	C(CC[6a]PdH)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CC[6a]PdH)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0630	0.280	2	124.0630	0.078	2	123.7225	0.658	4	124.0332	4.757	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:3:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	C-4:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	127.3135	1.183	2	127.3135	1.399	2	127.3135	1.399	2	127.3135	1.399	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(CC[5]CH)	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]CH){2|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	124.0250	2.884	2	124.0250	8.315	2	124.0250	8.315	2	124.0250	8.315	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:C[5]-2:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>}	121.9340	0.984	6	121.9340	0.969	6	122.2213	1.385	7	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:C[5]-2:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	123.9450	0.000	1	123.9450	0.000	1	122.2213	1.385	7	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	127.8630	0.000	1	127.8630	0.000	1	127.8630	0.000	1	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|N<3>}	128.2138	0.418	4	128.0985	0.368	10	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	127.7910	0.525	5	128.0985	0.368	10	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|N<3>}	129.1750	0.000	1	128.0985	0.368	10	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	128.8187	2.517	3	127.9906	1.053	23	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	128.4445	0.022	2	127.9906	1.053	23	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	127.8420	0.694	2	127.9906	1.053	23	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	128.4710	1.141	2	127.9906	1.053	23	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pt<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	127.9585	0.723	6	127.9906	1.053	23	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	127.9065	0.060	2	127.9906	1.053	23	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|N<3>}	127.3748	0.404	6	127.9906	1.053	23	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	128.6490	0.000	1	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Cu<4>,2|C<3>}	128.5117	0.777	3	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ir<6>,2|C<3>}	127.6043	0.379	6	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ni<6>,2|C<3>}	128.4892	0.700	6	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Os<9>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Os<9>,2|C<3>}	126.7950	0.000	1	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	128.6448	0.699	6	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pt<4>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pt<4>,2|C<3>}	128.3160	0.000	1	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Rh<8>,2|C<3>}	128.0270	0.000	1	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	128.5100	0.364	4	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<5>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Zn<5>,2|C<3>}	127.9000	0.051	2	128.2449	0.468	31	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Co<5>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Co<5>}	128.1090	0.377	6	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Co<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Co<6>}	128.3527	0.339	3	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Cu<5>}	127.7341	0.770	10	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<5>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<5>}	128.9200	0.000	1	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	129.3020	0.553	2	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	128.5735	0.775	8	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<4>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<4>}	128.1880	0.000	1	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<6>}	128.0620	0.000	1	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<8>}	128.5280	1.048	3	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Li<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Li<6>}	128.4940	0.000	1	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ni<6>}	129.4760	0.645	4	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	128.0793	0.890	4	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	128.3100	0.489	4	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	128.5100	0.000	1	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<4>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<4>}	128.3870	0.000	1	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<6>}	128.9095	0.648	6	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<8>}	128.5907	0.754	3	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<6>}	128.6333	1.243	3	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	127.0490	0.122	2	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<5>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<5>}	128.4680	0.000	1	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<6>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<6>}	128.2380	0.000	1	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){2|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	127.9642	0.896	6	128.3551	0.656	72	128.2495	0.664	136	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	129.1545	0.093	2	129.1545	0.009	2	129.1545	0.009	2	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:Se-1:	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(Se)	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(Se){1|C<4>,2|C<3>}	126.9020	0.000	1	126.9020	0.000	1	126.9020	0.000	1	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C)(N[5]N[5]C)(H){1|H<1>}	127.9180	0.000	1	127.9180	0.000	1	129.1602	1.923	12	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]Cd)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cd<6>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]Cd)(N[5]N[5]C)(H){1|H<1>}	128.6015	1.136	2	128.6015	1.291	2	129.1602	1.923	12	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<2>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H){1|H<1>}	131.0840	0.000	2	130.0307	0.881	7	129.1602	1.923	12	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<5>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H){1|H<1>}	129.0650	0.000	1	130.0307	0.881	7	129.1602	1.923	12	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<6>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]Cu)(N[5]N[5]C)(H){1|H<1>}	129.7455	0.776	4	130.0307	0.881	7	129.1602	1.923	12	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5a]C[5])(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	127.0340	0.000	1	127.0340	0.000	1	129.1602	1.923	12	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	127.5530	0.000	1	127.5530	0.000	1	129.1602	1.923	12	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5]){2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(S){3|C<3>}	124.3810	0.000	1	124.3810	0.000	1	124.3810	0.000	1	128.0304	2.480	160	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:2:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5a]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5]){1|H<1>}	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	C[5](N[5]N[5]C)(N[5]N[5]H)(NN)	127.3690	0.000	1	127.3690	0.000	1	127.3690	0.000	1	127.9845	0.758	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:2:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:Se-2:	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(SeZn)	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(SeZn){1|C<4>,2|C<3>}	128.6000	0.000	1	128.6000	0.000	1	128.6000	0.000	1	127.9845	0.758	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	129.1030	0.000	1	129.1030	0.000	1	130.0795	1.907	2	127.6310	26.899	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	131.0560	0.000	1	131.0560	0.000	1	130.0795	1.907	2	127.6310	26.899	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	128.4060	0.274	2	128.9652	1.836	6	128.9829	1.532	7	127.6310	26.899	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.2448	1.650	4	128.9652	1.836	6	128.9829	1.532	7	127.6310	26.899	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.0890	0.000	1	129.0890	0.000	1	128.9829	1.532	7	127.6310	26.899	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:3:	C[5]-3:C-4:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[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(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	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>}	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	127.6310	26.899	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:4:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	127.9830	0.000	1	127.9830	0.000	1	127.9830	0.000	1	128.7865	1.291	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:3:4:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<3>}	129.5900	0.000	1	129.5900	0.000	1	129.5900	0.000	1	128.7865	1.291	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	3:4:3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:N[5]-3:	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]P[6])(C[5]C[5]2Fe)(N[5]N[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|Fe<10>,1|Pd<4>,1|P<4>,2|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]P[6])(C[5]C[5]2Fe)(N[5]N[5]C){1|Pd<4>,1|F<1>,2|C<4>,2|H<1>,2|N<2>}	130.8990	0.000	1	130.8990	0.000	1	130.8990	0.000	1	130.8990	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:1:1:	4:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]O)(CC[6a]HH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5]C)(O)	N[5](C[5]C[3,5]O)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3]C[5]N[3])(N[5]N[5]C)(O){1|C<3>,1|C<4>}	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:3:1:	3:2:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](N[5]N[5]C)(S[5]C[5])(S)	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5]){1|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](N[5]N[5]C)(S[5]C[5])(S){1|H<1>}	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:3:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5]){2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](N[5]C[5]H)(N[5]N[5]C)(H){1|H<1>}	127.7820	0.000	1	127.7820	0.000	1	127.7820	0.000	1	127.7820	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	C[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5])	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	125.8000	0.000	1	125.8000	0.000	1	125.8000	0.000	1	125.7386	3.070	23	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:I-1:	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	128.7763	1.956	3	128.7763	3.824	3	128.7763	3.824	3	125.7386	3.070	23	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<2>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	125.0294	0.924	5	125.5514	0.852	17	125.5514	0.852	17	125.7386	3.070	23	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<3>}	125.3450	1.114	3	125.5514	0.852	17	125.5514	0.852	17	125.7386	3.070	23	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	126.3023	0.678	6	125.5514	0.852	17	125.5514	0.852	17	125.7386	3.070	23	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[5]N)(N[5]N[5]C)(S){1|C<4>}	125.1257	0.118	3	125.5514	0.852	17	125.5514	0.852	17	125.7386	3.070	23	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:1:	C[5]-3:C-4:P[5]-2:	C[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|C<4>}	122.7425	0.090	2	122.7425	0.008	2	122.7425	0.008	2	125.7386	3.070	23	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:2:	3:3:4:1:	3:3:4:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	126.3580	0.066	2	126.3580	0.004	2	126.3580	0.004	2	126.3580	0.004	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:3:	3:3:3:1:	3:3:3:	C[5]-3:C-4:N[5]-3:	N[5]-3:N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu)	C(N[5]C[5]N[5])2(C[5]N[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])2(C[5]N[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Cu<3>,2|H<1>,3|C<3>}	126.9060	0.502	2	126.9060	0.252	2	126.9060	0.252	2	126.9060	0.252	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6a]-3:C-4:C[5]-3:	N[5]-3:C[3x6]-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:3:	4:3:1:1:	3:3:1:	C[5,6a]-3:C-4:C[5]-3:	C[6,6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(H){2|C<3>}	125.5340	1.363	2	125.5340	1.859	2	125.5340	1.859	2	125.5340	1.859	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:O[5]-2:N[5]-3:	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C)	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3){2|C<3>,2|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	126.6450	0.000	1	126.6450	0.000	1	126.6450	0.000	1	126.6450	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5a]C[5])(C[5]N[5]DyO)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]N[5]DyO)(CH3){1|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Dy<15>,1|H<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	127.5775	1.552	6	127.5775	2.410	6	127.5775	2.410	6	127.4441	1.539	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]2)(N[5]C[5]C)2{2|O<1>,2|O<2>,4|H<1>}	127.3130	0.362	2	127.3130	0.131	2	127.3130	0.131	2	127.4441	1.539	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	125.5390	0.000	1	125.5390	0.000	1	125.5390	0.000	1	127.4441	1.539	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	128.1850	0.000	1	128.1850	0.000	1	127.8997	0.176	3	127.4441	1.539	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	127.7570	0.479	2	127.7570	0.230	2	127.8997	0.176	3	127.4441	1.539	12	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3){1|C<3>,1|C<4>,2|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	120.0450	0.000	1	120.0450	0.000	1	121.1275	2.344	2	122.6255	1.624	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.2100	0.000	1	122.2100	0.000	1	121.1275	2.344	2	122.6255	1.624	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	123.3820	0.000	1	123.3820	0.000	1	123.5370	0.048	2	122.6255	1.624	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	123.6920	0.000	1	123.6920	0.000	1	123.5370	0.048	2	122.6255	1.624	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	123.1607	0.944	3	122.9188	0.828	4	122.9188	0.828	4	122.6255	1.624	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	122.1930	0.000	1	122.9188	0.828	4	122.9188	0.828	4	122.6255	1.624	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:2:1:1:	4:3:2:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-2:H-1:H-1:	C[6]-4:N[5]-3:O[5]-2:	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(CC)(H)2	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:2:	C[5]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]HH){1|H<1>,2|O<1>,5|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(N[5]C[5]){3|H<1>,5|C<3>}	123.5930	0.000	1	123.5930	0.000	1	123.5930	0.000	1	123.5930	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C){4|H<1>,5|C<3>}	126.2330	0.000	1	126.2330	0.000	1	126.2330	0.000	1	121.6137	41.229	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{4|C<4>,4|H<1>}	114.8930	0.590	4	114.8930	0.348	4	114.8930	0.348	4	121.6137	41.229	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	126.2880	0.000	1	126.2880	0.000	1	126.2880	0.000	1	121.6137	41.229	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{3|C<3>,5|H<1>}	126.4140	0.000	1	126.4140	0.000	1	126.4140	0.000	1	121.6137	41.229	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<2>,4|C<3>,5|H<1>}	127.7730	0.000	1	128.0080	0.110	2	128.0080	0.110	2	121.6137	41.229	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|S<3>,4|C<3>,5|H<1>}	128.2430	0.000	1	128.0080	0.110	2	128.0080	0.110	2	121.6137	41.229	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	123.1760	0.000	1	123.1760	0.000	1	123.1760	0.000	1	122.7720	0.108	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O){3|C<3>,4|H<1>}	122.8430	0.000	1	122.8430	0.000	1	122.7610	0.013	2	122.7720	0.108	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C[5])(N[5]C[5]C)(O){1|C<4>,4|C<3>,4|H<1>}	122.6790	0.000	1	122.6790	0.000	1	122.7610	0.013	2	122.7720	0.108	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.7720	0.108	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:4:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[6]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[6]N[6]2)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH){1|C<3>,2|H<1>,2|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[6]N[6]2)(N[5]C[5]C){2|C<3>,2|N<2>,4|H<1>}	124.1740	0.000	1	124.1740	0.000	1	124.1740	0.000	1	124.1740	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:3:4:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(N[5]C[5]C)(O){2|C<4>,3|C<3>,4|H<1>}	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH){1|O<1>,3|C<3>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	126.4245	2.027	2	126.4245	4.110	2	126.4245	4.110	2	127.7966	2.930	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	127.8070	0.000	1	127.8070	0.000	1	128.7113	0.666	3	127.7966	2.930	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,6|H<1>}	129.1635	0.326	2	129.1635	0.106	2	128.7113	0.666	3	127.7966	2.930	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[4,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-4:C-4:	N[5]-3:Si-4:H-1:H-1:	C[5]-4:N[5]-3:O[5]-2:	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH)	C(N[5]C[5]2)(SiCCF)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)(O[5]Si[5])	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH){1|F<1>,1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5]2)(SiCCF)(H)2	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)(O[5]Si[5]){1|F<1>,1|S<4>,4|C<4>,4|H<1>}	127.9140	0.000	1	127.9140	0.000	1	127.9140	0.000	1	127.9140	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:3:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]2)(CH3)(CNO)(H)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<3>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(CH3)(CNO)(H)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O){1|C<4>,2|C<3>,5|H<1>}	124.1420	0.000	1	122.7825	3.696	2	122.7825	3.696	2	122.7825	3.696	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:3:1:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]2)(CH3)(CNO)(H)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(CH3)(CNO)(H)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O){1|C<4>,2|C<3>,6|H<1>}	121.4230	0.000	1	122.7825	3.696	2	122.7825	3.696	2	122.7825	3.696	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Pd)(N[5]C[5]C){1|C<4>,3|C<3>,3|H<1>}	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:4:1:	3:4:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	127.9353	0.283	3	127.9353	0.080	3	127.9353	0.080	3	127.9353	0.080	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[6]-3:N[5]-3:	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C)	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:4:4:	3:3:3:	C[5]-3:Si[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3){3|C<3>}	C(N[5]Si[5]C[5])(CH3)3	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	124.0280	0.000	1	124.5170	0.478	2	124.5170	0.478	2	124.5170	0.478	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:4:4:	3:3:3:	C[5]-3:Si[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3){3|C<3>}	C(N[5]Si[5]C[5])(CH3)3	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){2|H<1>,2|N<3>,4|C<3>}	125.0060	0.000	1	124.5170	0.478	2	124.5170	0.478	2	124.5170	0.478	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3){2|C<3>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|O<2>,2|C<3>,5|H<1>}	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:4:4:4:	4:3:3:	C[5]-3:Ga[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	Ga[5]-4:N[5]-3:C[5]-3:	N[5](C[5]Ga[5]C[5])(Ga[5]N[5]CN)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C[5](Ga[5]N[5]2N)(N[5]Ga[5]C)(C[5]N[5]H)	N[5](C[5]Ga[5]C[5])(Ga[5]N[5]CN)(CC3){1|C<4>,1|H<1>,3|N<3>}	C(N[5]Ga[5]C[5])(CH3)3	C[5](Ga[5]N[5]2N)(N[5]Ga[5]C)(C[5]N[5]H){1|N<3>,2|C<3>,4|C<4>}	123.1230	0.000	1	123.1230	0.000	1	123.1230	0.000	1	123.1230	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	125.6097	1.747	6	125.6097	3.052	6	124.9668	2.529	13	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(C[5]N[5]Pd)(C[5]C[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](CC[6a]N[5]H)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	126.2330	0.040	2	126.2330	0.002	2	124.9668	2.529	13	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(C[5]N[5]Re)(C[5]C[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](CC[6a]N[5]H)(C[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	123.6888	0.556	5	123.6888	0.309	5	124.9668	2.529	13	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](N[5]C[5]C)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](N[5]C[5]C)2(H){2|H<1>}	124.9978	2.083	6	124.9978	4.339	6	124.9978	4.339	6	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:C[5]-3:N[5]-3:	C[6a]-3:N[5a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H)	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H){2|H<1>}	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){2|H<1>}	127.7980	0.000	1	127.7980	0.000	1	127.7980	0.000	1	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	130.2388	0.244	4	130.2388	0.060	4	130.2388	0.060	4	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]H){2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	127.8452	0.628	4	127.8452	0.394	4	127.2832	0.999	16	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	127.3336	0.768	8	127.3336	0.590	8	127.2832	0.999	16	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6]N[5]H)(N[5]C[5]Mn)(C[5]C[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Mn)(C[5]C[5]H){2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|H<1>}	126.6205	1.487	4	126.6205	2.211	4	127.2832	0.999	16	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]H)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]H){2|H<1>}	C(C[6a]C[6,6a]C[6a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	125.4320	1.636	2	125.4320	2.677	2	125.4320	2.677	2	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	130.6540	0.165	2	128.5496	1.133	17	127.2798	2.355	41	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	128.2690	0.759	15	128.5496	1.133	17	127.2798	2.355	41	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]H){2|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	127.6145	0.674	4	127.6145	0.454	4	127.2798	2.355	41	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	125.9433	1.021	16	125.9433	1.043	16	127.2798	2.355	41	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	126.3920	0.402	2	126.3920	0.161	2	127.2798	2.355	41	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]H){2|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>}	127.3975	0.937	2	127.3975	0.878	2	127.2798	2.355	41	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CN[5a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	129.0815	1.104	2	129.0815	1.218	2	128.3606	1.055	14	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]H){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|H<1>}	127.8424	0.885	8	127.8424	0.782	8	128.3606	1.055	14	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	129.0365	0.816	4	129.0365	0.666	4	128.3606	1.055	14	127.0745	3.469	97	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|H<1>}	129.8495	3.246	2	129.8495	10.539	2	129.8495	10.539	2	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C){1|C<4>,1|H<1>}	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	128.0075	0.678	2	128.0075	0.460	2	128.0075	0.460	2	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	129.6990	0.042	2	129.6990	0.002	2	129.6990	0.002	2	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.6235	0.418	2	129.6235	0.175	2	126.5290	4.353	8	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	125.4975	0.976	6	125.4975	0.952	6	126.5290	4.353	8	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	128.2045	1.763	2	128.2045	3.108	2	128.8623	1.633	4	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.5200	0.245	2	129.5200	0.060	2	128.8623	1.633	4	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Cd)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Cd)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	127.7410	0.649	4	127.7410	0.421	4	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<4>,1|C<4>}	128.3189	0.751	8	127.5781	0.930	18	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	127.1287	0.669	8	127.5781	0.930	18	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	126.4120	0.031	2	127.5781	0.930	18	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	129.7420	1.162	2	129.7420	1.351	2	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	127.9728	1.411	14	127.9728	1.991	14	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	126.2055	2.433	2	126.2055	5.920	2	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<4>,1|C<4>}	126.0635	0.644	2	125.7217	0.314	6	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	125.5507	0.517	4	125.7217	0.314	6	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	129.0910	0.047	2	129.0910	0.002	2	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	126.8280	0.437	4	126.8280	0.191	4	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	127.4600	1.078	8	127.4600	1.161	8	127.5065	1.750	60	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	124.8520	0.776	2	124.8520	0.603	2	124.8520	0.603	2	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	127.3350	0.441	4	127.3350	0.194	4	127.8826	0.411	10	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	128.1915	0.736	2	128.2477	0.223	6	127.8826	0.411	10	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<7>,1|C<4>}	128.2757	0.433	4	128.2477	0.223	6	127.8826	0.411	10	127.5746	2.304	90	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](CC[6a]N[6]H)(C[5]C[5]O)2	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](CC[6a]N[6]H)(C[5]C[5]O)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	123.8535	2.061	2	123.8535	4.249	2	123.8535	4.249	2	123.8535	4.249	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]C[6]N[5])(N[5]C[5]Cr)(C[5]C[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]C[6]N[5])(N[5]C[5]Cr)(C[5]C[5]H){2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cr<6>,1|H<1>}	129.2475	0.258	2	129.2475	0.067	2	129.2475	0.067	2	129.0314	2.508	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	N[5](CC[6a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C(N[5]C[5]N[5])2(C[6a]C[6a]2)2	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	130.0550	1.276	2	130.0550	1.627	2	130.0550	1.627	2	129.0314	2.508	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	N[5](CN[5a]C[6]2)(N[5]C[5]Cr)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]C[6]2)(N[5]C[5]Cr)(C[5]C[5]H){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cr<6>,1|H<1>}	126.5520	0.000	1	126.5520	0.000	1	126.5520	0.000	1	129.0314	2.508	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[6]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](CC[6]N[5]C)(N[5]C[5]Pd)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6]N[5]C)(N[5]C[5]Pd)(C[5]C[5]H){2|H<1>}	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	130.1485	0.046	2	130.1485	0.002	2	130.1485	0.002	2	129.8059	5.919	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](CN[5a]N[5]C)(N[5]C[5]Ru)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]C)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	130.6895	1.947	2	130.6895	3.790	2	130.6895	3.790	2	129.8059	5.919	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	N[5](CN[5a]N[5]P)(N[5]C[5]Ru)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(PRuCC)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]P)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(PRuCC)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	133.3385	0.043	2	133.3385	0.002	2	133.3385	0.002	2	129.8059	5.919	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C[5]-3:N[5]-3:H-1:	N[5](CN[5a]N[5]S)(N[5]C[5]Fe)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]S)(N[5]C[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	127.4640	0.225	2	127.4640	0.051	2	127.4265	0.024	4	129.8059	5.919	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[5]-3:C[5]-3:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C[5]-3:N[5]-3:H-1:	N[5](CN[5a]N[5]S)(N[5]C[5]Mn)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]S)(N[5]C[5]Mn)(C[5]C[5]H){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|C<4>}	127.3890	0.132	2	127.3890	0.017	2	127.4265	0.024	4	129.8059	5.919	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	3:3:4:1:	3:3:4:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](CC[5]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[5]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	127.5570	0.856	2	127.5570	0.732	2	127.5570	0.732	2	127.5570	0.732	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[3x4,3x6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H)	C(C[3x4,3x6]C[3x4,3x6]3)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C(C[3x4,3x6]C[3x4,3x6]3)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	126.0970	0.000	1	126.0970	0.000	1	126.0970	0.000	1	125.5960	0.502	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	4:3:1:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[3x4,3x6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H)	C(C[3x4,3x6]C[3x4,3x6]3)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C(C[3x4,3x6]C[3x4,3x6]3)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	125.0950	0.000	1	125.0950	0.000	1	125.0950	0.000	1	125.5960	0.502	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6a]-3:N[5]-3:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]C)(O)	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O){1|C<4>,1|N<2>,1|N<3>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[5](N[5,5]C[5,5]N[5])(N[5]C[5]C)(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	126.0200	0.000	1	126.0200	0.000	1	126.0200	0.000	1	126.0200	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	4:3:3:1:	4:3:1:	C-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[5](C[5,5]N[5,5]N[5]C)(N[5]C[5]C)(O)	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O){1|C<4>,1|N<2>,1|N<3>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[5](C[5,5]N[5,5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:3:	6:3:1:1:	3:3:1:	C-4:N[5]-3:C[5]-3:	C[5x3,5x5,20x6]-6:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](CC[5x3,5x5,20x6]HH)(N[5]N[5]Ir)(C[5]C[5]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](CC[5x3,5x5,20x6]HH)(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Fe<10>,1|Ir<8>,2|C<4>}	127.2700	0.000	1	127.2700	0.000	1	127.2700	0.000	1	127.2700	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	2:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](O[5]C[5,5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](O[5]C[5,5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.2755	0.361	2	122.2755	0.131	2	122.1453	0.116	3	122.1453	0.116	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	2:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](O[5]C[5,5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](O[5]C[5,5])(N[5]C[5]C)(O){1|N<3>,1|O<2>,2|H<1>}	121.8850	0.000	1	121.8850	0.000	1	122.1453	0.116	3	122.1453	0.116	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5])(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5])(O){2|H<1>,2|N<3>}	122.8050	0.000	1	122.8050	0.000	1	122.8050	0.000	1	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:O-1:	N[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(O)	N[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(CH3){3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(O){1|H<1>,2|C<3>}	125.2470	0.000	1	125.2470	0.000	1	125.2470	0.000	1	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]O[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(H){4|H<1>}	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	123.0930	0.000	1	122.4166	0.822	11	122.4430	0.756	12	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	122.0501	0.756	8	122.4166	0.822	11	122.4430	0.756	12	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	123.8160	0.000	1	122.4166	0.822	11	122.4430	0.756	12	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,3|H<1>}	123.2730	0.000	1	122.4166	0.822	11	122.4430	0.756	12	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	122.7330	0.000	1	122.7330	0.000	1	122.4430	0.756	12	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S){2|C<4>,2|H<1>}	122.5340	0.000	1	122.5340	0.000	1	122.5297	4.869	3	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	122.5275	3.120	2	122.5275	9.737	2	122.5297	4.869	3	122.8523	2.270	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-2:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(SC)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(SC){4|H<1>}	125.3080	0.000	1	125.3080	0.000	1	125.4580	5.177	4	125.4580	5.177	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:S-2:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(SI)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(SI){4|H<1>}	125.5080	2.784	3	125.5080	7.750	3	125.4580	5.177	4	125.4580	5.177	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:3:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]C[5,6])(NCH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]C[5,6])(NCH){1|C<3>,1|C<4>,1|H<1>}	125.7310	0.000	1	125.7310	0.000	1	125.7310	0.000	1	126.7346	5.379	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]N[5]CC)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CCO)	N[5](C[5]N[5]CC)(C[5]N[5]C)(CH3){1|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]N[5])(CCO){1|C<4>,2|C<3>}	128.7415	1.001	4	128.7415	1.001	4	128.7415	1.001	4	126.7346	5.379	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(NHH)	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(NHH){1|C<4>,1|H<1>,1|O<1>}	125.3440	0.195	2	125.3440	0.038	2	125.3298	4.604	5	126.7346	5.379	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(NHH){1|O<1>,2|H<1>}	128.1740	0.000	1	128.1740	0.000	1	125.3298	4.604	5	126.7346	5.379	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]P[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]P[5])(NCC)	N[5](C[5]C[5]P[5]H)(C[5]N[5]N)(CH3){1|Fe<10>,1|W<6>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]P[5])(NCC){1|H<1>,1|W<6>,2|C<4>}	122.1380	0.000	1	122.1380	0.000	1	125.3298	4.604	5	126.7346	5.379	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]C[6a]P[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]P[5])(NCC)	N[5](C[5]C[6a]P[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|W<6>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]P[5])(NCC){1|C<3>,1|C<4>,1|H<1>,1|W<6>}	125.6490	0.000	1	125.6490	0.000	1	125.3298	4.604	5	126.7346	5.379	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]Si[5])(CH3)	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3){2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]Si[5])(CH3){2|C<4>,2|H<1>}	124.9640	0.000	1	124.3530	0.340	3	124.3530	0.340	3	124.3530	0.340	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]Si[5])(CH3)	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3){2|Si<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]Si[5])(CH3){2|Si<4>,2|H<1>}	124.0475	0.347	2	124.3530	0.340	3	124.3530	0.340	3	124.3530	0.340	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3)	C(N[5]B[5]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	C(N[5]B[5]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:S-1:	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3)	C(N[5]B[5]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S)	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3){6|C<3>}	C(N[5]B[5]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(N[5]B[5]C)(S){1|C<4>,4|C<3>}	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3)	C(N[5]C[5,5,6]C[5])(H)3	C[5](N[5]C[5,5,6]C)2(H)	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6]C[5])(H)3	C[5](N[5]C[5,5,6]C)2(H){2|C<4>,2|H<1>}	125.3560	0.000	1	125.3560	0.000	1	125.3560	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O){1|Ru<11>,1|H<1>,3|C<4>}	123.1480	0.000	1	123.1480	0.000	1	122.9110	0.112	2	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]C)(N[5]C[5,5]C)(O){1|Fe<10>,2|C<4>}	122.6740	0.000	1	122.6740	0.000	1	122.9110	0.112	2	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5,5]C[3x5]C[5])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5,5]C[3x5]C[5])(N[5]C[5,5]C)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	122.5920	0.000	1	122.5920	0.000	1	122.5920	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Cl-1:	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(Cl)	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3){4|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(Cl){1|Ru<10>,2|C<4>}	127.0555	0.052	6	127.0555	0.003	6	127.0555	0.003	6	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(CH3){2|C<4>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){1|H<1>,1|O<2>,2|C<4>}	123.5597	0.342	3	123.5597	0.117	3	122.4667	0.989	33	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	121.7580	0.914	9	121.7580	0.835	9	122.4667	0.989	33	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|N<3>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	121.4180	0.699	4	121.4180	0.488	4	122.4667	0.989	33	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){1|N<2>,1|N<3>,2|H<1>}	123.6870	0.000	1	123.6870	0.000	1	122.4667	0.989	33	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	122.8464	0.682	16	122.8464	0.465	16	122.4667	0.989	33	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(S)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(S){2|C<4>,2|N<3>}	122.2850	0.119	2	122.2850	0.014	2	122.2850	0.014	2	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3)	C(N[5]C[5,6,6]C[5])(H)3	C[5](N[5]C[5,6,6]C)2(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6,6]C[5])(H)3	C[5](N[5]C[5,6,6]C)2(H){2|C<4>,2|H<1>}	126.3875	0.651	4	126.3875	0.424	4	126.3875	0.424	4	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	123.9810	0.000	1	123.9810	0.000	1	124.6863	0.216	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]C[6a]N[5])(N[5]C[5,6]C)(O){4|C<3>}	124.7745	0.409	8	124.7745	0.167	8	124.6863	0.216	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]C)(O){3|C<3>}	123.6820	0.000	1	123.6820	0.000	1	123.9976	0.455	8	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]I)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Cl<1>,1|H<1>,1|I<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]I)(O){3|C<3>}	123.9260	0.000	1	123.9260	0.000	1	123.9976	0.455	8	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]P)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|P<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]P)(O){3|C<3>}	123.3630	0.301	2	123.3630	0.091	2	123.9976	0.455	8	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]S)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|S<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]S)(O){3|C<3>}	123.5980	0.000	1	123.5980	0.000	1	123.9976	0.455	8	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O){3|C<3>}	124.5045	0.651	2	124.6830	0.308	3	123.9976	0.455	8	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Se<2>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O){3|C<3>}	125.0400	0.000	1	124.6830	0.308	3	123.9976	0.455	8	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){1|C<3>,1|C<4>,2|H<1>}	124.3735	0.414	2	124.3735	0.171	2	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|C<3>}	123.0087	0.480	4	121.8358	3.442	6	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|C<3>}	119.4900	0.102	2	121.8358	3.442	6	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){2|H<1>,2|N<3>}	120.6270	0.000	1	120.6270	0.000	1	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){2|H<1>,2|N<3>}	122.6690	0.000	1	122.6690	0.000	1	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	123.9650	0.000	1	123.2420	1.045	2	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	122.5190	0.000	1	123.2420	1.045	2	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){1|C<3>,1|C<4>,2|H<1>}	123.2150	0.822	2	123.2150	0.675	2	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<4>,3|C<3>}	121.9140	1.331	2	121.9140	1.771	2	122.4875	2.459	16	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	124.4220	0.000	1	124.4220	0.000	1	124.2345	0.070	2	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5a,6]C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5a,6]C[5,6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.0470	0.000	1	124.0470	0.000	1	124.2345	0.070	2	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.8375	0.040	2	123.8375	0.002	2	122.8500	0.860	6	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.6145	0.301	2	122.6145	0.090	2	122.8500	0.860	6	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3){4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	122.0980	1.007	2	122.0980	1.014	2	122.8500	0.860	6	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]ReS)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]ReS)(C[5]C[5]H)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<7>,1|S<3>}	126.1790	0.000	1	126.1790	0.000	1	126.2400	1.745	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]RuP)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuP)(C[5]C[5]H)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ru<8>,1|P<4>}	124.6580	0.739	3	124.6580	0.545	3	126.2400	1.745	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|S<2>}	127.4723	0.252	3	127.2014	0.183	5	126.2400	1.745	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3){1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<8>,1|S<2>}	126.7950	0.233	2	127.2014	0.183	5	126.2400	1.745	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O){1|Ru<11>,2|C<4>,2|H<1>}	124.1010	0.000	1	123.7140	0.300	2	123.2319	1.672	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	123.3270	0.000	1	123.7140	0.300	2	123.2319	1.672	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	124.3300	0.000	1	123.8220	0.516	2	123.2319	1.672	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	123.3140	0.000	1	123.8220	0.516	2	123.2319	1.672	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	124.6350	0.000	1	124.6350	0.000	1	123.2319	1.672	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	123.3985	0.852	2	123.3985	0.726	2	123.2319	1.672	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>}	120.5440	0.000	1	120.5440	0.000	1	123.2319	1.672	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	122.0390	0.000	1	122.0390	0.000	1	123.2319	1.672	9	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CH3){1|C<4>,1|H<1>,1|S<2>}	C(N[5]C[5]2)(H)3	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	123.9000	0.000	1	123.9000	0.000	1	123.9000	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Cl-1:	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Cl)	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(Cl){4|H<1>}	125.3350	0.000	1	125.3350	0.000	1	125.3350	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	124.7080	0.126	2	124.7080	0.016	2	124.7080	0.016	2	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3){1|C<4>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<4>,3|C<3>}	121.5140	0.000	1	121.5140	0.000	1	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	120.0160	0.000	1	121.3120	3.359	2	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<4>,1|H<1>,1|O<1>}	122.6080	0.000	1	121.3120	3.359	2	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CC)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|O<1>}	124.3820	0.000	1	124.3820	0.000	1	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<4>,3|H<1>}	123.5300	0.000	1	121.5603	2.924	3	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	120.5755	0.169	2	121.5603	2.924	3	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.2250	0.000	1	118.9990	1.198	2	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	119.7730	0.000	1	118.9990	1.198	2	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	120.0980	0.000	1	120.0980	0.000	1	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	125.1217	0.256	3	125.0280	0.079	4	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){3|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	124.7470	0.000	1	125.0280	0.079	4	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|O<1>,2|H<1>}	123.8270	0.000	1	123.5841	8.906	7	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){4|H<1>}	123.6324	3.644	5	123.5841	8.906	7	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<4>,3|H<1>}	123.1000	0.000	1	123.5841	8.906	7	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	122.9883	0.436	7	122.6210	0.526	10	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|O<1>}	121.7640	0.474	3	122.6210	0.526	10	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	122.2320	0.000	1	122.2320	0.000	1	122.6544	4.591	32	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(S){1|O<1>,2|C<4>}	125.0875	0.175	2	125.0875	0.031	2	125.2875	0.246	4	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){2|C<3>,4|H<1>}	125.4875	0.740	2	125.4875	0.548	2	125.2875	0.246	4	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	P[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-3:N[5]-3:H-1:	N[5](P[5]C[5,5]CW)(C[5]C[5,5]H)(CH3)	C(N[5]C[5]P[5])(H)3	C[5](C[5,5]C[5,5]C[5])(N[5]P[5]C)(H)	N[5](P[5]C[5,5]CW)(C[5]C[5,5]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(N[5]C[5]P[5])(H)3	C[5](C[5,5]C[5,5]C[5])(N[5]P[5]C)(H){1|C<3>,1|C<4>,1|S<2>,1|W<6>,2|H<1>}	115.5330	0.000	1	115.5330	0.000	1	115.5330	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:Cl-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH)	C(N[5]C[5]S[5])(Cl)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH){2|C<3>}	C(N[5]C[5]S[5])(Cl)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	122.4590	0.000	1	122.4590	0.000	1	122.4590	0.000	1	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]S[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	123.3630	0.000	1	123.3630	0.000	1	123.5998	0.167	4	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C(N[5]C[5]S[5])(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O){2|O<1>,3|C<3>}	123.6787	0.461	3	123.6787	0.213	3	123.5998	0.167	4	123.3703	4.166	157	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(NC)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(NC){1|C<3>,1|C<4>,1|H<1>}	123.3900	0.000	1	123.3900	0.000	1	123.3900	0.000	1	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(NC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(NC){1|O<1>,2|H<1>}	124.7213	0.605	7	124.7213	0.366	7	123.1290	4.940	29	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]){4|H<1>}	122.0765	1.946	4	122.0765	3.786	4	123.1290	4.940	29	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6]){4|H<1>}	126.0930	0.311	2	126.0930	0.097	2	123.1290	4.940	29	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	122.2604	2.375	12	122.2604	5.639	12	123.1290	4.940	29	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NP){4|H<1>}	123.1400	0.000	1	123.1400	0.000	1	123.1290	4.940	29	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NH){2|C<3>,4|H<1>}	125.1020	0.000	1	125.1020	0.000	1	123.1290	4.940	29	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC){2|C<3>,2|H<1>}	120.9165	0.384	2	120.9165	0.147	2	123.1290	4.940	29	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(OAl)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(OAl){4|H<1>}	126.8500	0.344	4	126.8500	0.118	4	126.8500	0.118	4	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC){4|H<1>}	128.7370	1.543	2	128.7370	2.381	2	128.9533	1.331	3	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-2:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]){4|H<1>}	129.3860	0.000	1	129.3860	0.000	1	128.9533	1.331	3	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){3|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){4|H<1>}	126.9113	0.337	3	126.9113	0.114	3	126.4995	0.754	4	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SBi)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SBi){3|H<1>}	125.2640	0.000	1	125.2640	0.000	1	126.4995	0.754	4	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeCu)	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SeCu){4|H<1>}	128.1765	1.610	2	128.1765	2.592	2	128.1765	2.592	2	124.4359	7.770	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3)	C(N[5]B[5]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3){6|C<3>}	C(N[5]B[5]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO){1|H<1>,4|C<3>}	120.8680	0.000	1	120.8680	0.000	1	121.4585	0.697	2	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3)	C(N[5]B[5]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3){6|C<3>}	C(N[5]B[5]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O){1|H<1>,4|C<3>}	122.0490	0.000	1	122.0490	0.000	1	121.4585	0.697	2	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(NCH)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(NCH){2|H<1>,2|N<3>}	125.5065	5.322	2	125.5065	28.328	2	125.5065	28.328	2	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2)	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2){1|C<4>,4|C<3>}	122.9600	0.000	1	122.9600	0.000	1	124.8925	7.469	2	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CCC)	N[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<2>,1|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CCC){1|C<3>,1|C<4>,1|O<2>}	126.8250	0.000	1	126.8250	0.000	1	124.8925	7.469	2	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[6]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]C){3|H<1>,4|C<3>}	129.1870	0.000	1	129.1870	0.000	1	129.1870	0.000	1	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH){1|O<1>,2|H<1>}	126.2154	0.906	22	126.2154	0.822	22	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCC){4|H<1>}	127.0720	0.000	1	127.0720	0.000	1	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[3]H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[3]H){4|H<1>}	127.2430	0.764	2	127.2430	0.583	2	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]H){4|H<1>}	125.8100	0.000	1	125.8100	0.000	1	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]Pd)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]Pd){4|H<1>}	123.7267	1.713	3	123.7267	2.936	3	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]Zn)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]Zn){4|H<1>}	127.2810	3.685	6	127.2810	13.576	6	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6a]Cu)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6a]Cu){4|H<1>}	124.5497	1.620	11	124.5497	2.625	11	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCuC){4|H<1>}	121.9498	1.461	6	121.9498	2.135	6	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NHN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NHN){4|H<1>}	127.8590	3.660	2	127.8590	13.395	2	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(N[5]C[5]C)(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Pt<4>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Pt)(N[5]C[5]C)(NHH){1|O<1>,2|H<1>}	125.5210	0.000	1	125.5210	0.000	1	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(NReH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Re<6>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Re)(N[5]C[5]C)(NReH){1|O<1>,2|H<1>}	124.4570	0.000	1	124.4570	0.000	1	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Zn<4>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]Zn)(N[5]C[5]C)(NHH){1|O<1>,2|H<1>}	126.9657	0.552	10	126.9657	0.305	10	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCH){2|C<3>,4|H<1>}	126.3810	0.000	1	126.3810	0.000	1	125.7082	4.699	67	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6]2)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6]2){4|H<1>}	128.9543	0.993	4	128.9543	0.985	4	128.8616	1.771	8	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]2)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]2){4|H<1>}	128.8800	2.647	2	128.8800	7.009	2	128.8616	1.771	8	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-3:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PCl2)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PCl2){4|H<1>}	128.6580	1.522	2	128.6580	2.316	2	128.8616	1.771	8	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]C[5])(N[5]C[5]C)2{4|H<1>}	128.9165	0.528	4	128.9165	0.279	4	128.9165	0.279	4	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(N[5]C[5]S[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS){1|H<1>,2|C<3>,2|O<1>}	125.3440	2.746	2	125.3440	7.543	2	125.3440	7.543	2	126.0523	6.065	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	127.8200	0.000	1	127.8200	0.000	1	121.2860	32.173	3	123.3456	24.056	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	118.0190	0.553	2	118.0190	0.306	2	121.2860	32.173	3	123.3456	24.056	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3){1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3){2|C<3>,4|H<1>}	126.4350	0.253	2	126.4350	0.064	2	126.4350	0.064	2	123.3456	24.056	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:5:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:Si-5:	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiCl2HH)	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(SiCl2HH){4|H<1>}	127.0990	0.341	2	127.0990	0.116	2	127.0990	0.116	2	127.0990	0.116	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:6:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-6:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PCF4)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PCF4){4|H<1>}	131.1364	0.248	7	131.1364	0.062	7	130.8925	0.132	13	130.8925	0.132	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:6:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-6:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]F4)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PC[6a]F4){4|H<1>}	130.8350	0.320	2	130.8350	0.102	2	130.8925	0.132	13	130.8925	0.132	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:6:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-6:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PF4H)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PF4H){4|H<1>}	130.3725	0.006	2	130.3725	0.000	2	130.8925	0.132	13	130.8925	0.132	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:6:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:P-6:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PF5)	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(PF5){4|H<1>}	130.6160	0.030	2	130.6160	0.001	2	130.8925	0.132	13	130.8925	0.132	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:1:	C[5,5,6,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C(N[5]C[5,5,6,6]C[5])(H)3	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O)	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C(N[5]C[5,5,6,6]C[5])(H)3	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>}	120.5170	0.000	1	119.8588	0.584	4	119.8588	0.584	4	120.6840	1.363	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:1:	C[5,5,6,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C(N[5]C[5,5,6,6]C[5])(H)3	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O)	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|C<3>,4|H<1>,5|C<4>}	C(N[5]C[5,5,6,6]C[5])(H)3	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>}	118.8150	0.000	1	119.8588	0.584	4	119.8588	0.584	4	120.6840	1.363	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:1:	C[5,5,6,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C(N[5]C[5,5,6,6]C[5])(H)3	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O)	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C(N[5]C[5,5,6,6]C[5])(H)3	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>}	119.7730	0.000	1	119.8588	0.584	4	119.8588	0.584	4	120.6840	1.363	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:1:	C[5,5,6,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C(N[5]C[5,5,6,6]C[5])(H)3	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O)	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){2|C<3>,4|C<4>,4|H<1>}	C(N[5]C[5,5,6,6]C[5])(H)3	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>}	120.3300	0.000	1	119.8588	0.584	4	119.8588	0.584	4	120.6840	1.363	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(N[5]C[5,5,6]C[5])(H)3	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O){1|H<1>,3|C<4>}	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	120.6840	1.363	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	121.9970	0.000	1	121.9970	0.000	1	121.8240	0.060	2	120.6840	1.363	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[6,6a]2C[5])(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O)	N[5](C[5,6]C[6,6a]2C[5])(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	121.6510	0.000	1	121.6510	0.000	1	121.8240	0.060	2	120.6840	1.363	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]O)(CH3)	C(N[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(O)	N[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(O){2|C<3>,2|C<4>}	122.3350	0.000	1	122.3350	0.000	1	121.1247	1.315	3	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(CH3)	C(N[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(O)	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(CH3){2|C<3>,3|C<4>,5|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(O){1|C<3>,3|C<4>}	120.0540	0.000	1	120.0540	0.000	1	121.1247	1.315	3	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)	C(N[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5,6]C)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	120.9850	0.000	1	120.9850	0.000	1	121.1247	1.315	3	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	123.8890	0.000	1	123.6810	0.087	2	123.6810	0.087	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<3>,1|N<3>,2|H<1>}	123.4730	0.000	1	123.6810	0.087	2	123.6810	0.087	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3){1|O<2>,4|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5,6]C)(O){1|H<1>,1|O<2>,4|C<4>}	122.4870	0.000	1	122.4870	0.000	1	121.8480	0.817	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3){1|O<2>,4|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5,6]C)(O){1|O<2>,2|H<1>,3|C<4>}	121.2090	0.000	1	121.2090	0.000	1	121.8480	0.817	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]O)(CH3){1|O<2>,3|H<1>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){4|C<3>}	122.2770	1.372	2	122.2770	1.882	2	122.3950	0.983	3	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(O){1|C<4>,2|C<3>}	122.6310	0.000	1	122.6310	0.000	1	122.3950	0.983	3	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	124.0410	0.000	1	124.0410	0.000	1	124.0110	0.002	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	123.9810	0.000	1	123.9810	0.000	1	124.0110	0.002	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[3x5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3){1|C<3>,1|C<4>,2|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	123.0673	1.026	3	123.0673	1.053	3	123.0673	1.053	3	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.2580	0.000	2	122.2580	0.000	2	122.7114	3.108	5	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3){1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	123.7400	0.000	1	124.3655	0.783	2	122.7114	3.108	5	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3){1|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){3|C<4>,4|H<1>}	124.9910	0.000	1	124.3655	0.783	2	122.7114	3.108	5	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]O)(C[5]C[5,5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5,5]O)(CH3){1|N<3>,2|F<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<4>,2|F<1>,3|C<3>}	120.3100	0.000	1	120.3100	0.000	1	122.7114	3.108	5	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]CO)(C[5]C[5,6,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]CO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	123.0590	0.836	2	123.0590	0.699	2	123.5580	0.569	4	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	124.0570	0.112	2	124.0570	0.012	2	123.5580	0.569	4	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0065	0.745	2	123.0065	0.554	2	123.0065	0.554	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	123.7190	0.000	1	123.7190	0.000	1	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	123.0120	0.156	2	123.0120	0.024	2	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.0136	0.798	7	123.0136	0.636	7	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	122.7290	0.000	1	122.7290	0.000	1	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	122.5790	0.000	1	122.8290	0.125	2	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	123.0790	0.000	1	122.8290	0.125	2	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	123.3446	1.922	87	123.3446	3.692	87	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O){2|C<3>,4|H<1>}	122.9515	0.431	2	122.9515	0.185	2	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|N<3>,3|H<1>}	121.8530	2.379	2	121.8530	5.658	2	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	123.6195	0.086	2	123.6195	0.007	2	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	121.5170	0.000	1	122.8272	1.136	4	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|H<1>,3|C<3>}	123.2640	0.748	3	122.8272	1.136	4	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	122.2870	0.000	1	122.2758	0.138	5	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	122.2730	0.429	4	122.2758	0.138	5	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,2|C<3>}	122.6375	0.011	2	123.0573	0.529	3	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.8970	0.000	1	123.0573	0.529	3	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	122.7657	0.828	4	122.7657	0.686	4	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>}	122.1680	0.000	1	122.1680	0.000	1	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,2|C<4>}	122.5880	0.000	1	122.9616	0.357	12	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	123.0358	0.632	10	122.9616	0.357	12	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){3|C<4>}	122.5930	0.000	1	122.9616	0.357	12	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|O<2>,2|C<4>}	121.9580	0.000	1	121.9580	0.000	1	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|C<4>}	120.7830	0.000	1	120.7830	0.000	1	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	120.8040	0.000	1	120.8040	0.000	1	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.6080	0.552	7	121.6080	0.305	7	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	122.9765	0.043	2	122.9765	0.002	2	123.0506	2.618	147	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(N[5]C[5]C)(S)	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3){1|C<4>,3|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(N[5]C[5]C)(S){1|C<3>,1|C<4>,5|H<1>}	125.8310	0.000	1	125.8310	0.000	1	125.8310	0.000	1	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:Se-1:	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se)	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se){1|C<3>,3|H<1>}	124.8205	0.600	2	124.8205	0.360	2	124.8205	0.360	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](S[5]C[5,5]OO)(C[5]C[5,5]O)(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]S[5]C)(O)	N[5](S[5]C[5,5]OO)(C[5]C[5,5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]S[5])(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]S[5]C)(O){1|C<3>,1|H<1>,1|N<2>,2|O<1>}	123.8220	0.000	1	123.8220	0.000	1	123.6800	0.040	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](S[5]N[5,5]OO)(C[5]C[5,5]O)(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]S[5]C)(O)	N[5](S[5]N[5,5]OO)(C[5]C[5,5]O)(CH3){1|C<4>,2|C<3>}	C(N[5]C[5]S[5])(H)3	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]S[5]C)(O){1|N<2>,2|O<1>,5|C<3>}	123.5380	0.000	1	123.5380	0.000	1	123.6800	0.040	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5]C[6a]2N[5])(N[5]S[5]C)(O)	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]S[5])(H)3	C[5](C[5]C[6a]2N[5])(N[5]S[5]C)(O){1|H<1>,2|O<1>,4|C<3>}	123.1930	0.000	1	123.1930	0.000	1	123.0420	0.046	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5]C[6a]C[6]N[5])(N[5]S[5]C)(O)	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]S[5])(H)3	C[5](C[5]C[6a]C[6]N[5])(N[5]S[5]C)(O){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	122.8910	0.000	1	122.8910	0.000	1	123.0420	0.046	2	123.0555	2.455	180	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B-4:N[5]-3:O[5]-2:	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](BC[6a]C[5]C)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	126.0200	0.632	4	126.0200	0.399	4	126.7736	1.353	8	125.2738	2.632	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B-4:N[5]-3:O[5]-2:	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](BC[6a]C[5]Fe)(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](BC[6a]C[5]Fe)(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	128.3820	0.798	2	128.3820	0.636	2	126.7736	1.353	8	125.2738	2.632	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B-4:N[5]-3:O[5]-2:	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3)	C(N[5]C[5]2)(H)3	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5])	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](BC[6a]C[5]N[6])(N[5]C[5]C)(O[5]C[5]){2|C<4>,2|H<1>}	126.6725	0.409	2	126.6725	0.168	2	126.7736	1.353	8	125.2738	2.632	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS)	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS){4|H<1>}	124.5950	0.000	1	124.5950	0.000	1	124.5950	0.000	1	125.2738	2.632	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(OBi)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(OBi){4|H<1>}	123.6110	0.000	1	123.6110	0.000	1	124.3304	1.276	12	125.2738	2.632	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(OCu)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(OCu){4|H<1>}	122.5740	0.000	1	122.5740	0.000	1	124.3304	1.276	12	125.2738	2.632	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH){4|H<1>}	125.3738	0.623	5	125.3738	0.388	5	124.3304	1.276	12	125.2738	2.632	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(OSn)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(OSn){4|H<1>}	123.7822	0.695	5	123.7822	0.483	5	124.3304	1.276	12	125.2738	2.632	21	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCC)	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCC){2|C<4>,2|H<1>}	123.7860	0.000	1	123.7860	0.000	1	127.1073	8.302	3	129.8212	4.177	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C){4|H<1>}	128.5980	0.000	1	128.5980	0.000	1	127.1073	8.302	3	129.8212	4.177	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N){4|H<1>}	128.9380	0.000	1	128.9380	0.000	1	127.1073	8.302	3	129.8212	4.177	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Pt)(N[5]C[5]C)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]2Pt)(N[5]C[5]C)2{4|H<1>}	130.7075	1.518	2	130.7075	2.305	2	130.4027	1.800	14	129.8212	4.177	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]C[5]Pt)(N[5]C[5]C)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]C[5]Pt)(N[5]C[5]C)2{4|H<1>}	131.3578	1.317	4	131.3578	1.734	4	130.4027	1.800	14	129.8212	4.177	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	P-4:N[5]-3:N[5]-3:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C(N[5]C[5]2)(H)3	C[5](PC[6a]C[5]Rh)(N[5]C[5]C)2	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](PC[6a]C[5]Rh)(N[5]C[5]C)2{4|H<1>}	129.8490	1.171	8	129.8490	1.372	8	130.4027	1.800	14	129.8212	4.177	17	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:2:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO)	C(N[5]C[5]2)(OH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO){2|H<1>}	C(N[5]C[5]2)(OH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){4|H<1>}	122.7410	0.000	1	122.7410	0.000	1	122.7410	0.000	1	122.7410	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO)	C(N[5]C[5,5]C[5])(OH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(OH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){3|N<3>,4|H<1>}	123.2865	0.258	2	123.2865	0.067	2	123.2865	0.067	2	122.5973	1.924	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>,4|C<3>}	C(N[5]C[5]2)(CC)(H)2	C[5](N[5]C[5]C)2(O){1|O<1>,2|C<3>}	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	122.5973	1.924	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:2:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO)	C(N[5]C[5]S[5])(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO){2|C<3>}	C(N[5]C[5]S[5])(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	123.8430	0.932	2	123.8430	0.869	2	123.8430	0.869	2	122.5973	1.924	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:2:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS)	C(N[5]C[5]S[5])(SC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS){2|C<3>}	C(N[5]C[5]S[5])(SC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	121.0490	1.078	2	121.0490	1.161	2	121.0490	1.161	2	122.5973	1.924	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(CC)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	122.7655	0.225	4	122.7655	0.051	4	122.7655	0.051	4	122.6284	0.132	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:2:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,5|H<1>}	C(N[5]C[5]2)(CC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	122.0800	0.000	1	122.0800	0.000	1	122.0800	0.000	1	122.6284	0.132	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	2:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	O[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](O[5]C[5,5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](O[5]C[5,5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.9520	0.000	1	123.9520	0.000	1	122.9880	1.859	2	122.9880	1.859	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	2:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	O[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](O[5]C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](O[5]C[5,6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.0240	0.000	1	122.0240	0.000	1	122.9880	1.859	2	122.9880	1.859	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[3,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH)	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[3,5]C)(O[5]C[5])(O)	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH){1|C<3>,5|H<1>}	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[3,5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(O[5]C[5,5])(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(O[5]C[5,5])(O){2|C<4>,2|H<1>}	123.0960	0.000	1	123.0960	0.000	1	122.5045	0.700	2	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5,5]C[5]3)(C[5]O[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(O[5]C[5])(O)	N[5](C[5,5]C[5]3)(C[5]O[5]O)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(O[5]C[5])(O){4|C<4>}	121.9130	0.000	1	121.9130	0.000	1	122.5045	0.700	2	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-2:S-1:	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(N[5]N[5])(S)	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH){2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(N[5]N[5])(S){2|C<4>}	124.2800	0.000	1	124.2800	0.000	1	124.2800	0.000	1	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5,6]C[5,6]C[4]C[6])(C[5]O[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(O[5]C[5,6])(O)	N[5](C[5,6]C[5,6]C[4]C[6])(C[5]O[5]O)(CC[6a]HH){1|N<3>,3|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(O[5]C[5,6])(O){1|H<1>,3|C<4>}	120.4870	0.000	1	120.4870	0.000	1	120.4870	0.000	1	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH){2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	122.4075	0.590	2	122.4075	0.349	2	122.4075	0.349	2	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|H<1>,3|C<4>}	118.8940	0.000	1	118.8940	0.000	1	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|C<4>}	122.6140	0.000	1	122.6140	0.000	1	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	122.0075	0.122	2	122.3042	2.846	5	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,3|H<1>}	122.5020	2.353	3	122.3042	2.846	5	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	123.1260	0.000	1	123.3914	0.744	10	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	123.4848	0.950	8	123.3914	0.744	10	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	122.9100	0.000	1	123.3914	0.744	10	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	122.7000	0.000	1	122.7000	0.000	1	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	121.8230	0.000	1	122.3310	0.623	3	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	122.5850	0.926	2	122.3310	0.623	3	122.6970	1.989	21	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:S-1:	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(S){1|C<4>,3|H<1>}	124.9300	0.000	1	124.9300	0.000	1	124.9300	0.000	1	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<3>,3|H<1>}	121.1640	0.000	1	121.1640	0.000	1	119.9980	1.020	3	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]C[6]H)(C[5]S[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]C[6]H)(C[5]S[5]O)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(O){1|C<4>,3|H<1>}	119.4150	0.000	2	119.4150	0.000	2	119.9980	1.020	3	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	123.3770	0.000	1	123.3770	0.000	1	123.3770	0.000	1	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CBrC)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CBrC)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	122.8360	0.000	1	122.8360	0.000	1	123.2556	0.422	10	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCI)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|H<1>}	C(N[5]C[5]2)(CCI)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){3|H<1>}	122.5340	0.000	2	123.2692	0.503	8	123.2556	0.422	10	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCI)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCI)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	123.5143	0.645	6	123.2692	0.503	8	123.2556	0.422	10	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CClC)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CClC)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	123.5660	0.000	1	123.5660	0.000	1	123.2556	0.422	10	122.6536	2.026	43	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){4|H<1>}	123.3940	0.000	1	123.3940	0.000	1	122.6760	1.031	2	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){4|H<1>}	121.9580	0.000	1	121.9580	0.000	1	122.6760	1.031	2	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(NN){4|H<1>}	125.8310	0.000	1	125.8310	0.000	1	125.8310	0.000	1	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:N-2:	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){1|C<4>,3|H<1>}	122.6820	0.000	1	122.6820	0.000	1	123.4052	0.714	6	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){1|C<3>,1|C<4>,2|H<1>}	124.1810	0.000	1	123.3735	0.774	4	123.4052	0.714	6	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){1|C<3>,2|H<1>}	123.5095	0.684	2	123.3735	0.774	4	123.4052	0.714	6	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){4|H<1>}	122.2940	0.000	1	123.3735	0.774	4	123.4052	0.714	6	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NS)	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(NS){1|C<4>,3|H<1>}	124.2550	0.000	1	124.2550	0.000	1	123.4052	0.714	6	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<4>,3|H<1>}	120.0950	0.000	1	120.0950	0.000	1	121.2695	1.168	4	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){4|H<1>}	122.0220	0.939	2	122.0220	0.882	2	121.2695	1.168	4	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|H<1>,2|C<3>}	120.9390	0.000	1	120.9390	0.000	1	121.2695	1.168	4	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){4|H<1>}	120.7550	0.000	1	120.7550	0.000	1	120.7550	0.000	1	122.6748	2.527	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:3:	P[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-2:C-3:	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[5](N[5]P[5]C)(C[5]O[5])(CCC)	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH){2|C<3>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[5](N[5]P[5]C)(C[5]O[5])(CCC){1|B<4>,1|C<3>}	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	C(N[5]B[5]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	C(N[5]B[5]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	118.7280	0.000	1	118.7280	0.000	1	118.7280	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CC[6a]HH)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CC[6a]HH){6|C<3>}	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	121.9740	0.672	2	121.9740	0.451	2	121.9740	0.451	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[3x5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH)	C(N[5]C[3x5]C[5])2(H)2	C[5](N[5]C[3x5]C)2(O)	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(N[5]C[3x5]C[5])2(H)2	C[5](N[5]C[3x5]C)2(O){2|C<4>,2|N<3>}	121.8279	0.714	48	121.8279	0.510	48	121.8279	0.510	48	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O)	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O){1|O<2>,2|C<4>,2|H<1>,2|N<3>}	122.8410	0.000	1	122.8410	0.000	1	122.8410	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H)	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CC[6a]HH){2|H<1>,2|N<3>,3|C<3>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H){1|C<3>,1|C<4>,1|N<3>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5,6]C)(N[5]C[5,5,6]H)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5,6]C)(N[5]C[5,5,6]H)(O){2|C<4>,2|N<3>}	122.9810	0.846	2	122.9810	0.715	2	122.9810	0.715	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	C[5](N[5]C[5,5,6]C)2(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	C[5](N[5]C[5,5,6]C)2(O){2|C<4>,2|N<3>}	121.0951	0.780	11	121.0951	0.608	11	121.0875	0.888	133	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5,6]C[5])2(H)2	C[5](N[5]C[5,5,6]C)2(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(N[5]C[5,5,6]C[5])2(H)2	C[5](N[5]C[5,5,6]C)2(O){2|C<4>,2|N<3>}	121.0869	0.958	122	121.0869	0.918	122	121.0875	0.888	133	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	118.6285	1.331	2	118.6285	1.773	2	118.6285	1.773	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH)	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5,5]C)(O){1|O<1>,2|C<3>,2|C<4>}	122.4793	1.112	4	122.4793	1.237	4	122.4793	1.237	4	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,1|N<2>,3|C<3>}	121.4210	0.000	1	121.4210	0.000	1	121.8033	0.226	4	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,2|C<3>,2|C<4>}	121.9530	0.000	1	121.9530	0.000	1	121.8033	0.226	4	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH){3|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,2|C<3>,2|C<4>}	121.4290	0.000	1	121.4290	0.000	1	121.8033	0.226	4	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4100	0.000	1	122.4100	0.000	1	121.8033	0.226	4	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,2|C<3>}	124.7750	0.000	1	124.7750	0.000	1	124.7750	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O){1|H<1>,2|C<4>,3|C<3>}	122.5590	0.000	1	122.5590	0.000	1	122.1815	0.285	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O){1|H<1>,2|C<4>,3|C<3>}	121.8040	0.000	1	121.8040	0.000	1	122.1815	0.285	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	121.5265	0.639	2	121.5265	0.408	2	121.5265	0.408	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	123.8980	0.000	1	123.8980	0.000	1	122.8623	3.705	55	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	121.7452	2.586	14	121.7452	6.685	14	122.8623	3.705	55	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	123.4208	1.894	13	123.4208	3.589	13	122.8623	3.705	55	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	122.9816	1.252	25	122.9816	1.567	25	122.8623	3.705	55	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	125.0415	0.162	2	125.0415	0.026	2	122.8623	3.705	55	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(S)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|O<2>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(S){1|C<4>,1|O<2>,2|H<1>}	125.3120	0.000	1	125.3120	0.000	1	124.4530	3.663	3	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(S)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(S){2|C<3>,2|N<3>}	124.0235	2.494	2	124.0235	6.220	2	124.4530	3.663	3	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|C<4>,2|N<3>,4|H<1>}	122.5910	0.287	4	122.5910	0.083	4	122.5910	0.083	4	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|H<1>}	122.0888	1.089	6	120.8621	3.225	12	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|H<1>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|H<1>}	119.6353	1.516	6	120.8621	3.225	12	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	120.0687	0.851	4	120.0687	0.723	4	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|N<3>}	120.8282	0.739	195	120.8421	0.534	207	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	121.2139	0.520	8	120.8421	0.534	207	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|N<3>}	120.7768	0.640	4	120.8421	0.534	207	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	122.7219	0.730	12	122.7219	0.533	12	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|H<1>,2|N<3>}	122.2230	0.000	1	122.2230	0.000	1	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	122.3937	1.170	1142	122.3927	1.367	1152	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	121.8965	0.921	8	122.3927	1.367	1152	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	123.7705	0.909	2	122.3927	1.367	1152	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|N<3>,2|O<2>}	122.3055	0.942	4	122.3055	0.887	4	122.1447	1.577	1392	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[6]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH)	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	122.5594	0.944	8	122.5594	0.891	8	122.5594	0.891	8	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]Br)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]Br)(O){1|C<4>,2|C<3>}	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH)	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH){6|C<3>}	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	122.4300	0.000	1	122.4300	0.000	1	122.4300	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH){6|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	121.6740	0.000	1	121.6740	0.000	1	121.6740	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)2(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH){3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)2(H){2|C<4>,2|H<1>}	124.0555	0.974	2	124.0555	0.948	2	124.0555	0.948	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5,6]C)(S)	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH){2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5,6]C)(S){2|C<4>,3|C<3>}	122.9100	0.000	1	122.9100	0.000	1	122.9100	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,6]C[5])2(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])2(H)2	C[5](N[5]C[5,6]C)2(O){2|C<4>,2|H<1>}	121.0080	1.006	22	121.0080	1.013	22	121.0080	1.013	22	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>,1|H<1>}	124.4980	0.000	1	124.4980	0.000	1	124.4980	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	121.5860	0.000	1	121.5860	0.000	1	123.9875	0.987	12	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]N[6,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]N[6,6])(N[5]C[5]C)(O){2|H<1>,3|C<4>}	124.1070	0.000	1	124.1070	0.000	1	123.9875	0.987	12	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.9108	0.286	6	124.2157	0.507	10	123.9875	0.987	12	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	124.6730	0.958	4	124.2157	0.507	10	123.9875	0.987	12	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.4657	0.463	3	122.4657	0.214	3	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	123.1820	0.000	1	123.1820	0.000	1	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	123.1573	0.307	3	123.1573	0.094	3	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	122.8510	0.662	2	122.8510	0.438	2	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<2>,4|C<3>}	123.6650	0.242	2	123.6650	0.058	2	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,3|H<1>}	121.9490	0.000	1	123.2340	3.302	2	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	124.5190	0.000	1	123.2340	3.302	2	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	122.6750	0.000	1	122.6750	0.000	1	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	124.9415	0.602	4	124.9415	0.362	4	123.4440	1.126	18	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]PdH)(C[5]C[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]PdH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.6305	0.124	2	123.6305	0.015	2	123.6305	0.015	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[3,5]C)(N[5]C[5]C)(O)	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[3,5]C)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	122.4710	0.000	1	122.4710	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5,6]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5,6]O)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	123.0640	0.000	1	123.0640	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	123.4547	0.487	3	123.4547	0.237	3	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>}	121.3810	0.000	1	121.3810	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|S<2>}	122.5480	0.000	1	122.5480	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	123.7280	0.000	1	123.7280	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	124.4310	0.000	1	124.4310	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<2>,3|H<1>}	122.8870	0.000	1	123.7785	1.590	2	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	124.6700	0.000	1	123.7785	1.590	2	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]Br)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]Br)(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<2>}	125.0510	0.000	1	125.0510	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<2>}	124.1417	0.311	3	124.1417	0.096	3	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,2|O<2>}	125.1760	0.304	2	125.1760	0.092	2	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	123.2679	0.524	8	123.2679	0.275	8	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	123.8350	0.000	1	123.8350	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	124.1450	0.000	1	124.1450	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	124.3210	0.000	1	124.3210	0.000	1	123.6363	0.829	28	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){4|H<1>}	126.0327	0.958	10	126.0327	0.919	10	125.8938	0.857	12	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){2|C<3>,2|H<1>}	125.1995	0.023	2	125.1995	0.001	2	125.8938	0.857	12	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(O){2|C<3>,2|H<1>}	122.6020	0.665	2	122.6020	0.442	2	122.1900	2.028	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.3070	0.000	1	119.3070	0.000	1	122.1900	2.028	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	123.6290	0.000	1	123.6290	0.000	1	122.1900	2.028	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]S)(O){1|C<4>,3|H<1>}	123.1430	0.000	1	123.1430	0.000	1	122.1900	2.028	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(O){4|H<1>}	122.1640	0.000	1	122.1640	0.000	1	122.1900	2.028	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	121.8830	0.000	1	121.8830	0.000	1	122.1900	2.028	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S){4|H<1>}	124.6944	1.880	7	124.6944	3.535	7	124.6944	3.535	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:Br-1:Br-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C)	C(N[5]C[5]2)(COO)(Br)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C){2|C<3>}	C(N[5]C[5]2)(COO)(Br)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|F<1>}	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.2040	0.000	1	121.8735	2.538	4	122.6489	2.674	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.4300	1.621	3	121.8735	2.538	4	122.6489	2.674	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH){1|S<2>,3|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	124.8540	0.000	1	124.8540	0.000	1	122.6489	2.674	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	122.4810	0.000	1	122.4810	0.000	1	122.6489	2.674	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	123.7130	0.000	1	123.7130	0.000	1	122.6489	2.674	7	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH){1|C<3>,2|H<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,4|H<1>}	126.6630	0.000	1	126.6630	0.000	1	126.6630	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|O<1>}	C(N[5]C[5]2)2(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	123.4530	0.441	4	123.4530	0.195	4	123.4530	0.195	4	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	122.3300	0.000	1	122.3300	0.000	1	122.3300	0.000	1	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	123.4723	1.231	3	123.4723	1.515	3	122.7474	0.609	19	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	123.1330	0.000	1	123.1330	0.000	1	122.7474	0.609	19	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	122.5841	0.735	8	122.5841	0.540	8	122.7474	0.609	19	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	121.9390	0.000	1	121.9390	0.000	1	122.7474	0.609	19	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	122.6732	0.554	6	122.6732	0.307	6	122.7474	0.609	19	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]HH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	122.5005	1.201	2	122.5005	1.443	2	122.5005	1.443	2	122.1673	1.877	1815	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5,6]C[5])2(H)2	C[5](N[5]C[5,5,6]C)2(OCd)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(N[5]C[5,5,6]C[5])2(H)2	C[5](N[5]C[5,5,6]C)2(OCd){2|C<4>,2|N<3>}	121.5375	0.426	4	121.5375	0.182	4	121.8381	0.571	8	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5,6]C[5])2(H)2	C[5](N[5]C[5,5,6]C)2(OLu)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(N[5]C[5,5,6]C[5])2(H)2	C[5](N[5]C[5,5,6]C)2(OLu){2|C<4>,2|N<3>}	122.1388	0.954	4	122.1388	0.909	4	121.8381	0.571	8	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(ODy)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(ODy){2|C<4>,2|N<3>}	121.0550	1.392	2	121.0550	1.937	2	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OEr)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OEr){2|C<4>,2|N<3>}	121.0790	1.252	2	121.0790	1.566	2	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OHo)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OHo){2|C<4>,2|N<3>}	121.5950	1.001	4	121.5950	1.002	4	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OLu)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OLu){2|C<4>,2|N<3>}	121.2115	1.037	2	121.2115	1.076	2	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OTb)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OTb){2|C<4>,2|N<3>}	121.9970	0.000	1	121.9970	0.000	1	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OYb)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OYb){2|C<4>,2|N<3>}	121.3630	0.420	2	121.3630	0.176	2	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(ODy)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(ODy){2|H<1>,2|N<3>}	123.5325	1.339	4	123.5325	1.793	4	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OEu)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OEu){2|H<1>,2|N<3>}	122.0563	1.521	8	122.0563	2.312	8	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OSm)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OSm){2|H<1>,2|N<3>}	122.9390	1.116	37	122.9390	1.245	37	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OYb)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OYb){2|H<1>,2|N<3>}	123.3667	2.410	4	123.3667	5.808	4	122.5846	1.919	66	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH){3|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	123.3640	0.000	1	123.3640	0.000	1	123.3640	0.000	1	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-2:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(ORe)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(ORe){2|C<3>,3|H<1>}	124.5770	0.000	1	124.5770	0.000	1	124.5770	0.000	1	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[5a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[5a]){4|H<1>}	124.4290	0.000	1	124.4290	0.000	1	123.8043	3.277	11	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	124.4980	1.103	2	124.4980	1.217	2	123.8043	3.277	11	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]S)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]S)(NN){4|H<1>}	124.5470	0.000	1	124.5470	0.000	1	123.8043	3.277	11	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(NN){4|H<1>}	125.2120	0.000	1	125.2120	0.000	1	123.8043	3.277	11	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(NP){4|H<1>}	123.1105	2.226	6	123.1105	4.956	6	123.8043	3.277	11	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](N[5]C[5]C)2(NN){4|H<1>}	126.6590	0.000	1	126.6590	0.000	1	126.6590	0.000	1	122.7470	2.312	88	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(COO)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(COO){1|H<1>,3|C<3>}	128.6640	0.000	1	128.6640	0.000	1	128.6640	0.000	1	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)2(CHN)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)2(CHN){2|H<1>,2|N<3>}	126.7260	0.000	1	126.7260	0.000	1	126.7260	0.000	1	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:N-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCoC)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCoC){2|C<3>,3|H<1>}	125.8660	0.000	1	125.8660	0.000	1	125.1490	1.028	2	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:N-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC){2|C<3>,3|H<1>}	124.4320	0.000	1	124.4320	0.000	1	125.1490	1.028	2	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H){3|H<1>,5|C<3>}	127.6895	1.169	2	127.6895	1.366	2	127.6895	1.366	2	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC){4|H<1>}	125.1330	0.000	1	125.1330	0.000	1	126.5735	0.727	6	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CNN)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CNN){4|H<1>}	127.2570	0.117	2	127.2570	0.014	2	126.5735	0.727	6	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CCC){4|H<1>}	126.4580	0.703	2	126.4580	0.494	2	126.5735	0.727	6	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CSS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(CSS){4|H<1>}	126.8780	0.000	1	126.8780	0.000	1	126.5735	0.727	6	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NHH){4|H<1>}	126.7730	0.000	1	126.7730	0.000	1	126.7730	0.000	1	126.7139	1.396	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:4:	B[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CC[6a]HH)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CC[6a]HH){6|C<3>}	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN){1|H<1>,4|C<3>}	121.5150	0.000	1	121.5150	0.000	1	121.5150	0.000	1	125.8063	8.632	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH){1|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	126.8850	0.000	1	126.8850	0.000	1	126.8850	0.000	1	125.8063	8.632	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	128.1730	0.000	1	128.1730	0.000	1	128.1730	0.000	1	125.8063	8.632	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC3)	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]O)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(BC3){2|C<3>,4|H<1>}	126.6520	0.000	1	126.6520	0.000	1	126.6520	0.000	1	125.8063	8.632	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<4>,7|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	122.5170	0.000	1	122.5170	0.000	1	122.1150	0.323	2	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|O<2>,4|C<4>,5|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O){1|H<1>,3|C<4>}	121.7130	0.000	1	121.7130	0.000	1	122.1150	0.323	2	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|Fe<10>,3|C<4>,6|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	120.3920	0.000	1	120.3920	0.000	1	122.1290	2.537	5	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.9390	0.000	1	122.9390	0.000	1	122.1290	2.537	5	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]CC)(O)	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>}	121.4230	0.085	2	121.4230	0.007	2	122.1290	2.537	5	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(O)	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(O){1|C<4>,1|O<2>}	124.4680	0.000	1	124.4680	0.000	1	122.1290	2.537	5	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	121.0085	1.661	2	121.0747	1.393	3	121.0820	0.929	4	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<4>,7|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	121.2070	0.000	1	121.0747	1.393	3	121.0820	0.929	4	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O){2|C<4>}	121.1040	0.000	1	121.1040	0.000	1	121.0820	0.929	4	121.7457	1.603	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:4:3:	B[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,7|C<3>}	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C){1|B<3>,1|C<4>,1|H<1>,6|C<3>}	121.8790	0.000	1	121.8790	0.000	1	121.8790	0.000	1	121.8790	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5,5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.1210	0.000	1	122.1210	0.000	1	122.1210	0.000	1	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.4610	0.000	1	121.4610	0.000	1	122.8023	1.176	4	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O){1|C<4>,1|O<2>,2|C<3>}	122.8365	0.325	2	123.2493	0.564	3	122.8023	1.176	4	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O){1|C<4>,1|O<2>,2|C<3>}	124.0750	0.000	1	123.2493	0.564	3	122.8023	1.176	4	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]O)(CC[6a]HH){1|O<2>,2|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]H)(N[5]C[5,6]C)(O){1|H<1>,2|C<4>,2|O<2>}	122.5600	0.000	1	122.5600	0.000	1	122.5600	0.000	1	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH){3|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O){1|C<3>,2|C<4>,4|H<1>}	124.4880	0.000	1	123.0045	2.516	4	123.0045	2.516	4	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH){3|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O){2|C<3>,2|C<4>,3|H<1>}	122.5100	1.519	3	123.0045	2.516	4	123.0045	2.516	4	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(O){1|H<1>,1|N<3>,2|C<3>}	122.0530	0.000	1	122.0530	0.000	1	122.8191	0.768	9	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	122.6200	0.000	1	122.6200	0.000	1	122.8191	0.768	9	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	121.7330	0.000	1	121.7330	0.000	1	122.8191	0.768	9	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|H<1>,3|C<4>}	122.6550	0.017	2	122.6897	0.004	3	122.8191	0.768	9	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){3|H<1>,4|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|H<1>,3|C<4>}	122.7590	0.000	1	122.6897	0.004	3	122.8191	0.768	9	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(O){1|H<1>,3|C<4>}	124.2390	0.300	2	124.2390	0.090	2	122.8191	0.768	9	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH){2|H<1>,4|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|H<1>,3|C<3>}	122.4190	0.000	1	122.4190	0.000	1	122.8191	0.768	9	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[3x5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]C)(O){2|C<3>,2|C<4>,4|H<1>}	123.6350	0.000	1	123.6350	0.000	1	123.6350	0.000	1	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]CO)(C[5]C[4,5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O)	N[5](C[5]C[4,5]CO)(C[5]C[4,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(O){1|O<2>,2|C<4>,3|H<1>}	122.4450	0.000	1	122.4450	0.000	1	122.4450	0.000	1	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.1845	0.269	2	122.5860	0.443	4	123.1804	0.641	8	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.4350	0.000	1	122.5860	0.443	4	123.1804	0.641	8	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.5400	0.000	1	122.5860	0.443	4	123.1804	0.641	8	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.1070	0.000	1	124.1070	0.000	1	123.1804	0.641	8	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|C<4>,4|H<1>}	123.7915	0.296	2	123.6640	0.093	3	123.1804	0.641	8	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|H<1>,4|C<4>}	123.4090	0.000	1	123.6640	0.093	3	123.1804	0.641	8	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH){2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>,2|O<2>}	121.1580	0.000	1	121.1580	0.000	1	122.2120	0.835	3	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	122.6950	0.000	1	122.6950	0.000	1	122.2120	0.835	3	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	122.7830	0.000	1	122.7830	0.000	1	122.2120	0.835	3	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.1820	0.000	1	122.1820	0.000	1	122.1820	0.000	1	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]CC)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]CC)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,3|C<3>,3|H<1>}	121.1440	0.000	1	121.1440	0.000	1	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	122.1600	0.000	1	121.7858	0.188	5	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	121.7595	0.655	2	121.7858	0.188	5	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	121.6250	0.362	2	121.7858	0.188	5	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	122.6050	0.000	1	122.6050	0.000	1	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	123.2030	0.000	1	123.2030	0.000	1	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	123.8990	0.000	1	123.5013	0.401	3	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	123.3025	0.752	2	123.5013	0.401	3	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]N[6,6]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5,6]C[5,6]N[6,6]O)(N[5]C[5]C)(O){1|C<3>,2|C<4>,3|H<1>}	123.0300	0.000	1	123.0300	0.000	1	122.4513	0.883	12	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	123.1800	0.000	1	123.1800	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	123.0940	0.222	2	123.0940	0.049	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<2>,5|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	121.6960	0.000	1	121.6960	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.8690	0.000	1	120.7700	0.089	4	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	120.7370	0.355	3	120.7700	0.089	4	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	123.0570	0.000	1	121.3940	4.057	5	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.1930	0.000	2	121.3940	4.057	5	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	122.7635	0.146	2	121.3940	4.057	5	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	122.1570	0.000	1	122.1570	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	122.9570	0.000	1	122.9570	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	120.7490	0.000	1	122.4900	1.410	7	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	123.5100	0.678	3	122.4900	1.410	7	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	122.0503	0.635	3	122.4900	1.410	7	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	123.2867	0.424	3	123.2867	0.180	3	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	121.0630	0.000	1	121.7177	0.582	4	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.9360	0.766	3	121.7177	0.582	4	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O){3|C<3>,3|H<1>}	121.7430	0.000	2	121.7430	0.000	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	122.0098	0.825	9	122.0098	0.681	9	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.7580	0.714	2	120.7580	0.510	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>}	121.9685	0.387	2	121.9685	0.150	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	123.1520	0.000	1	123.1520	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|O<2>}	121.8530	0.000	1	121.8530	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[5]ClC)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[5](C[5]C[5]ClC)(N[5]C[5]C)(O){4|H<1>}	123.1670	0.000	1	123.1670	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|N<3>,3|H<1>}	122.7650	0.000	1	123.4473	0.545	6	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){4|H<1>}	123.6435	0.836	4	123.4473	0.545	6	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	123.3450	0.000	1	123.4473	0.545	6	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]II)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|I<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]II)(N[5]C[5]C)(O){4|H<1>}	123.4290	0.000	1	123.4290	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	123.3880	0.000	1	123.3880	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]2)(N[5]C[5]C)(O){1|C<4>,4|C<3>,4|H<1>}	122.8930	0.000	1	122.8930	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O){2|C<3>,4|H<1>}	123.5050	0.595	2	123.5050	0.354	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|H<1>,2|O<2>}	123.5830	0.000	1	123.5830	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<2>,1|S<4>,2|H<1>}	123.4680	0.000	1	123.4680	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|N<2>,1|N<3>,2|H<1>}	122.2560	0.000	1	122.2560	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<2>,1|C<3>,2|H<1>}	122.7010	0.000	1	122.7010	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	123.0245	0.473	2	123.0245	0.224	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.9420	0.000	1	121.2345	1.001	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	120.5270	0.000	1	121.2345	1.001	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	123.2950	0.000	1	123.2950	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	122.8920	1.650	2	123.2470	1.740	3	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<2>,2|C<3>}	123.9570	0.000	1	123.2470	1.740	3	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	122.8168	0.363	6	122.8168	0.132	6	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>}	123.1710	0.088	2	123.0549	0.516	8	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|S<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|H<1>,1|S<3>,2|C<3>}	122.7190	0.574	2	123.0549	0.516	8	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	123.2750	1.188	3	123.0549	0.516	8	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	122.8340	0.000	1	123.0549	0.516	8	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O){3|C<3>,3|H<1>}	122.0200	0.000	1	122.0200	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>}	121.1767	0.300	7	121.1767	0.090	7	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(O)	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>}	124.3000	0.000	1	124.3000	0.000	1	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>}	120.5925	0.875	2	120.5925	0.765	2	122.3541	1.318	95	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(S)	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(S){4|H<1>}	124.7810	0.000	1	124.7810	0.000	1	124.7810	0.000	1	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|N<3>,3|H<1>}	C(N[5]C[5]2)(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	123.6190	0.000	1	123.6190	0.000	1	122.9029	1.092	24	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<2>,3|H<1>}	123.1200	1.110	5	122.9853	0.860	22	122.9029	1.092	24	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	122.9456	0.902	17	122.9853	0.860	22	122.9029	1.092	24	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	C(N[5]C[5]2)(COO)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	120.3740	0.000	1	120.3740	0.000	1	122.9029	1.092	24	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN)	C(N[5]C[5]2)(NCC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN){4|H<1>}	C(N[5]C[5]2)(NCC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	124.4810	0.086	2	124.4810	0.007	2	124.4810	0.007	2	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[6]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH){4|H<1>}	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	124.1350	0.000	1	124.1350	0.000	1	124.1350	0.000	1	122.5899	1.257	169	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5,5]C[3,5]C)(N[5]C[5,5]C)(NS)	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5,5]C[3,5]C)(N[5]C[5,5]C)(NS){2|C<4>,3|H<1>}	124.0390	0.000	1	124.0390	0.000	1	124.0390	0.000	1	123.4612	0.416	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:2:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]C)(NS)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]C)(NS){2|C<4>,3|H<1>}	122.7995	0.405	2	122.7995	0.164	2	122.7995	0.164	2	123.4612	0.416	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NP)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NP){5|H<1>}	123.9080	0.000	1	123.9080	0.000	1	123.9080	0.000	1	123.4612	0.416	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(NC)	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(NC){2|C<3>,4|H<1>}	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	123.4612	0.416	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]C)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]C){4|H<1>}	128.4335	1.115	2	128.4335	1.243	2	128.9610	1.457	3	126.2558	23.933	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C){4|H<1>}	130.0160	0.000	1	130.0160	0.000	1	128.9610	1.457	3	126.2558	23.933	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CC[6a]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){4|H<1>}	C(N[5]C[5]2)(CC[6a]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH){4|H<1>}	126.5530	0.000	1	126.5530	0.000	1	126.5530	0.000	1	126.2558	23.933	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:3:	P[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC)	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC){1|B<4>,1|C<3>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	126.2558	23.933	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:2:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-3:O-2:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO)	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO){2|H<1>}	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC){4|H<1>}	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5,3x6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	C[5](C[5]C[5,6,6]C)(N[5]C[5,3x6]C)(O)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	C[5](C[5]C[5,6,6]C)(N[5]C[5,3x6]C)(O){1|C<4>,2|C<3>}	119.6190	0.000	1	119.6190	0.000	1	119.6190	0.000	1	120.3724	1.166	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|C<4>,2|C<3>}	120.0703	0.830	4	119.8003	0.559	7	119.8003	0.559	7	120.3724	1.166	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<3>}	119.4403	0.550	3	119.8003	0.559	7	119.8003	0.559	7	120.3724	1.166	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,2|C<3>,2|H<1>}	119.9520	0.000	1	121.1480	1.249	3	121.3862	1.060	4	120.3724	1.166	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	121.7460	0.594	2	121.1480	1.249	3	121.3862	1.060	4	120.3724	1.166	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	122.1010	0.000	1	122.1010	0.000	1	121.3862	1.060	4	120.3724	1.166	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH){2|C<3>}	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	121.0750	0.000	1	121.0750	0.000	1	121.0750	0.000	1	120.3724	1.166	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	122.5752	4.010	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	121.9630	0.000	1	121.9630	0.000	1	122.0520	0.016	2	122.5752	4.010	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H){4|H<1>}	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	122.1410	0.000	1	122.1410	0.000	1	122.0520	0.016	2	122.5752	4.010	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:1:	4:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](S[5]N[5]OO)(C[5]C[5]O)(CC[6a]2H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[5a]C[6a]N[5])(N[5]S[5]C)(O)	N[5](S[5]N[5]OO)(C[5]C[5]O)(CC[6a]2H){1|H<1>,2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[5a]C[6a]N[5])(N[5]S[5]C)(O){1|H<1>,2|O<1>,4|C<3>}	125.4350	0.000	1	125.4350	0.000	1	125.4350	0.000	1	122.5752	4.010	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]3)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]3){1|C<4>,1|O<2>,5|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)3	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<4>,1|O<2>,2|H<1>}	119.7260	0.000	1	119.7260	0.000	1	119.7260	0.000	1	121.4827	3.547	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:3:3:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]3)	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]3){4|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	122.3610	1.570	2	122.3610	2.464	2	122.3610	2.464	2	121.4827	3.547	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](N[5]C[5,6]C)(O[5]C[5,6])(O)	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH){1|H<1>,1|O<2>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](N[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	119.1030	0.000	1	119.1030	0.000	1	119.1030	0.000	1	120.1683	1.053	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	B[5]-3:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH)	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH){2|H<1>}	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	121.1500	0.000	1	121.1500	0.000	1	121.1500	0.000	1	120.1683	1.053	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	120.1683	1.053	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC){4|H<1>}	122.0610	0.000	1	122.0610	0.000	1	122.0610	0.000	1	122.0610	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCC)	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCC){4|H<1>}	126.0270	1.619	2	126.0270	2.622	2	126.0270	2.622	2	126.0270	2.622	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH){2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	121.4890	0.000	1	121.4890	0.000	1	121.4890	0.000	1	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	127.8610	0.000	1	127.8610	0.000	1	127.1295	1.070	2	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	126.3980	0.000	1	126.3980	0.000	1	127.1295	1.070	2	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5,5]-3:N[5]-3:H-1:	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	127.1190	0.000	1	127.1190	0.000	1	127.1190	0.000	1	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)2(O){1|C<4>,3|H<1>}	122.8820	0.000	1	122.8820	0.000	1	122.8820	0.000	1	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)2(S){4|H<1>}	124.7100	0.000	1	124.7100	0.000	1	124.7100	0.000	1	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH)	C(N[5]C[5]2)2(CH3)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH){1|H<1>,1|O<1>}	C(N[5]C[5]2)2(CH3)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	122.6800	0.574	2	122.6800	0.330	2	122.6800	0.330	2	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	119.6390	0.000	1	119.6390	0.000	1	123.6517	12.076	3	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	125.6580	0.011	2	125.6580	0.000	2	123.6517	12.076	3	124.2522	6.608	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[5](N[5]C[5]C)2(NP){4|H<1>}	129.5215	2.556	6	129.5215	6.533	6	129.5215	6.533	6	129.5215	6.533	6	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC){4|H<1>}	128.6640	0.000	1	128.6640	0.000	1	126.0775	13.380	2	126.0775	13.380	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CSS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CSS){3|C<3>,3|H<1>}	123.4910	0.000	1	123.4910	0.000	1	126.0775	13.380	2	126.0775	13.380	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	124.5150	0.139	3	124.5150	0.019	3	124.6860	0.130	4	124.6860	0.130	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	125.1990	0.000	1	125.1990	0.000	1	124.6860	0.130	4	124.6860	0.130	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.7220	0.000	1	121.6460	0.012	2	121.6460	0.012	2	123.5899	5.458	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){3|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){2|C<3>,2|H<1>}	121.5700	0.000	1	121.6460	0.012	2	121.6460	0.012	2	123.5899	5.458	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH){2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>,2|O<2>}	123.4720	0.000	1	123.4720	0.000	1	123.4720	0.000	1	123.5899	5.458	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	123.2360	0.000	1	123.2360	0.000	1	124.6513	10.556	3	123.5899	5.458	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	122.3500	0.000	1	122.3500	0.000	1	124.6513	10.556	3	123.5899	5.458	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	128.3680	0.000	1	128.3680	0.000	1	124.6513	10.556	3	123.5899	5.458	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN){4|H<1>}	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	124.4110	0.000	1	124.4110	0.000	1	124.4110	0.000	1	123.5899	5.458	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:C-4:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.0180	0.000	1	122.0180	0.000	1	122.0180	0.000	1	122.0180	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	2:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	O[5]-2:N[5]-3:C-4:	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](O[5]Ge[5,5])(N[5]C[5]C)(CCHH)	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH){1|Cl<1>,1|C<4>,1|O<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](O[5]Ge[5,5])(N[5]C[5]C)(CCHH){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	123.4485	0.350	2	123.4485	0.123	2	123.4485	0.123	2	123.4485	0.123	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCHH){1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|C<4>}	121.7280	0.000	1	121.7280	0.000	1	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|H<1>,3|C<4>}	120.7590	0.000	1	120.7590	0.000	1	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	124.0160	0.000	1	124.0160	0.000	1	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	121.4970	0.000	1	121.4970	0.000	1	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	122.2518	0.315	6	122.2518	0.099	6	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHS)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	122.2710	0.000	1	122.2710	0.000	1	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	120.9635	0.829	2	120.9635	0.688	2	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CN[5a]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	122.9391	1.022	7	122.9391	1.045	7	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[6]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CN[6]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	123.5510	0.147	2	123.5510	0.022	2	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[6a]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(N[5]C[5]2)(CN[6a]HH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){4|H<1>}	122.1745	0.134	2	122.1745	0.018	2	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	123.7540	0.606	4	123.7540	0.367	4	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	124.7560	0.000	1	123.3125	4.167	2	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	121.8690	0.000	1	123.3125	4.167	2	122.6458	1.227	30	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:P-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CC)(C[5]O[5]O)(CHHP)	C(N[5]C[5]2)(PO3)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CHHP){2|H<1>}	C(N[5]C[5]2)(PO3)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	121.7320	0.000	1	121.7320	0.000	1	121.7320	0.000	1	122.6301	1.180	32	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCCH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC){1|C<3>,3|H<1>}	122.9640	0.000	1	122.9640	0.000	1	122.2100	1.137	2	122.2100	1.137	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[5a])	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[5a]){4|H<1>}	121.4560	0.000	1	121.4560	0.000	1	122.2100	1.137	2	122.2100	1.137	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CCH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(CCH){4|H<1>}	125.7730	0.000	1	125.7730	0.000	1	125.7730	0.000	1	124.3565	6.107	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(NCH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(NCH){4|H<1>}	120.6820	0.000	1	120.6820	0.000	1	123.2650	13.344	2	124.3565	6.107	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(NHH)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(NHH){1|O<1>,2|H<1>}	125.8480	0.000	1	125.8480	0.000	1	123.2650	13.344	2	124.3565	6.107	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NHH)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NHH){4|H<1>}	125.1230	0.000	1	125.1230	0.000	1	125.1230	0.000	1	124.3565	6.107	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	C(N[5]B[5]C[5])(CC3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	C(N[5]B[5]C[5])(CC3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	120.3190	0.000	1	120.3190	0.000	1	122.2510	7.465	2	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	C(N[5]B[5]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	C(N[5]B[5]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	124.1830	0.000	1	124.1830	0.000	1	122.2510	7.465	2	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,2|C<3>,2|C<4>}	121.8950	0.000	1	121.8950	0.000	1	122.2920	0.169	3	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,5]C[5])(CCHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(CCHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2660	0.000	1	122.2660	0.000	1	122.2920	0.169	3	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,5]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.7150	0.000	1	122.7150	0.000	1	122.2920	0.169	3	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	121.4121	0.742	18	121.4121	0.551	18	121.5088	0.582	20	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	122.3790	0.115	2	122.3790	0.013	2	121.5088	0.582	20	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]H)(O)	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]H)(O){1|C<3>,2|C<4>}	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	123.1390	0.919	2	123.7538	1.089	6	123.1004	0.651	23	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|N<3>,4|C<3>}	124.0613	1.075	4	123.7538	1.089	6	123.1004	0.651	23	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C(N[5]C[5,6]C[5])(CCHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	123.5825	0.542	2	123.5825	0.294	2	123.1004	0.651	23	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C(N[5]C[5,6]C[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	122.7310	0.524	14	122.7310	0.275	14	123.1004	0.651	23	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	123.3880	0.000	1	123.3880	0.000	1	123.1004	0.651	23	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	121.6160	0.000	1	121.6160	0.000	1	119.7908	2.508	4	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	118.1440	0.000	1	118.1440	0.000	1	119.7908	2.508	4	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	119.7015	1.210	2	119.7015	1.464	2	119.7908	2.508	4	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O){2|H<1>,2|N<3>}	121.5400	0.000	1	121.5400	0.000	1	121.1564	3.569	5	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	120.8835	2.927	2	121.0605	4.698	4	121.1564	3.569	5	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	121.2375	2.324	2	121.0605	4.698	4	121.1564	3.569	5	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	122.4343	1.007	3	122.4343	1.014	3	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	123.4640	0.000	1	123.4640	0.000	1	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.8030	0.000	1	121.7160	0.015	2	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	121.6290	0.000	1	121.7160	0.015	2	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|O<2>,3|C<3>}	122.1690	0.000	1	122.1690	0.000	1	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH){1|N<2>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	123.6990	0.000	1	123.6990	0.000	1	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	123.2370	0.000	1	123.2370	0.000	1	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){1|N<2>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	121.9060	0.000	1	122.0010	0.023	3	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){2|C<4>,3|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	122.0485	0.180	2	122.0010	0.023	3	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH){1|O<2>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<2>,3|C<3>}	121.7200	0.000	1	121.7200	0.000	1	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	123.7870	0.000	1	123.7870	0.000	1	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,3|H<1>}	124.2800	0.000	1	124.2800	0.000	1	122.6063	0.883	15	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>,1|H<1>}	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	119.5870	0.000	1	119.5870	0.000	1	119.5870	0.000	1	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H){2|C<3>,4|H<1>}	125.3100	2.281	2	125.3100	5.204	2	125.2123	2.630	3	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]ReH)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H)	N[5](C[5]C[5]ReH)(C[5]N[5]H)(CCHH){1|Re<7>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]Re)(N[5]C[5]C)(H){1|Re<7>,2|H<1>}	125.0170	0.000	1	125.0170	0.000	1	125.2123	2.630	3	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[4]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[4]C[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	123.1320	0.000	1	123.1320	0.000	1	123.0243	0.027	3	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){3|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	122.8360	0.000	1	122.8360	0.000	1	123.0243	0.027	3	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<2>,1|S<2>,4|H<1>}	123.1050	0.000	1	123.1050	0.000	1	123.0243	0.027	3	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(S){1|C<4>,1|O<1>,1|O<2>}	123.9545	0.421	2	123.9545	0.177	2	124.5272	0.700	4	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(S){2|C<3>,4|H<1>}	124.5480	0.000	1	124.5480	0.000	1	124.5272	0.700	4	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(S){4|H<1>}	125.6520	0.000	1	125.6520	0.000	1	124.5272	0.700	4	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	N[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	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(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	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>}	124.8920	0.000	1	124.8920	0.000	1	124.8920	0.000	1	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	122.9580	0.668	6	122.9580	0.446	6	123.0503	0.432	7	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(N[5]C[5]S[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	123.6040	0.000	1	123.6040	0.000	1	123.0503	0.432	7	122.4854	2.215	93	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NN)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NN){4|H<1>}	126.2640	0.000	1	126.2640	0.000	1	125.8675	0.314	2	125.7228	2.681	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(NC){4|H<1>}	125.4710	0.000	1	125.4710	0.000	1	125.8675	0.314	2	125.7228	2.681	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){4|H<1>}	125.7038	1.678	13	125.7038	2.817	13	125.7047	3.014	16	125.7228	2.681	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){4|H<1>}	125.7083	2.388	3	125.7083	5.704	3	125.7047	3.014	16	125.7228	2.681	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[3x5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH)	C(N[5]C[3x5]C[5])(CCHH)(H)2	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(COO)	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH){6|C<3>}	C(N[5]C[3x5]C[5])(CCHH)(H)2	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(COO){1|O<2>,3|C<3>}	126.8910	0.000	1	126.8910	0.000	1	126.8910	0.000	1	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CCC){4|H<1>}	129.2330	0.986	3	129.2330	0.972	3	128.4632	1.602	5	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){4|H<1>}	127.4040	0.000	1	127.4040	0.000	1	128.4632	1.602	5	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHOO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	C(N[5]C[5]2)(CHOO)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){4|H<1>}	127.2130	0.000	1	127.2130	0.000	1	128.4632	1.602	5	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ga[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH)	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH){1|C<2>,2|C<4>,3|C<3>}	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<2>,2|N<3>}	122.8490	0.000	1	122.9347	0.015	3	122.9347	0.015	3	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ga[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH)	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH){1|C<2>,2|C<4>,3|C<3>}	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<4>,2|N<3>}	122.9775	0.136	2	122.9347	0.015	3	122.9347	0.015	3	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]C[6a]N[5]O)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]O)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|O<2>}	125.3620	0.051	2	125.3620	0.003	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Br<1>,1|C<4>,1|S<1>}	124.5230	1.619	2	124.5230	2.622	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Br<1>,1|Se<1>,1|C<4>}	124.5775	1.602	2	124.5775	2.565	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<2>,1|C<4>,1|O<2>}	122.5395	0.818	2	123.4518	1.919	4	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|O<2>,2|C<4>}	124.3640	1.327	2	123.4518	1.919	4	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cd<4>,2|C<4>}	123.1702	0.415	5	123.1702	0.172	5	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]ClCu)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]ClCu)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|Cu<4>,1|C<4>}	125.0785	1.634	4	125.0785	2.668	4	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,1|O<2>}	122.2840	0.601	2	122.2840	0.361	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]CuO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CuO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cu<4>,1|C<4>,1|O<2>}	123.6315	0.956	11	123.6315	0.914	11	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]FeO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]FeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Fe<5>,1|C<4>,1|O<2>}	123.8083	1.668	3	123.8083	2.781	3	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|O<2>}	122.6875	2.123	2	122.6875	4.509	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|S<1>}	124.6250	1.834	2	124.6250	3.364	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,2|O<2>}	123.7750	1.705	6	123.7750	2.906	6	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<1>}	123.7567	1.691	4	123.2998	2.222	6	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<2>}	122.3860	0.163	2	123.2998	2.222	6	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]PtC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]PtC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Pt<4>,2|C<4>}	123.5883	0.844	16	123.5883	0.712	16	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|S<1>,1|S<2>}	123.6468	1.634	6	123.6468	2.670	6	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|Se<2>,1|C<4>}	122.5660	0.443	2	122.5660	0.196	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,2|C<4>}	124.2780	1.008	2	124.2780	1.017	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|N<3>}	124.6015	1.554	2	124.6015	2.413	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|O<2>}	124.6795	1.428	4	124.6795	2.040	4	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|S<2>}	123.2550	0.939	2	123.5905	2.263	4	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,1|C<4>,1|S<1>}	123.9260	2.336	2	123.5905	2.263	4	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]TeN)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]TeN)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Te<1>,1|C<4>,1|N<3>}	124.6305	1.802	2	124.6305	3.249	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]TeO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]TeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Te<1>,1|C<4>,1|O<2>}	123.5453	1.629	10	123.5453	2.655	10	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]ZnC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]ZnC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Zn<4>,2|C<4>}	123.3327	1.102	4	123.3327	1.214	4	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5a]N[5]O)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5a]N[5]O)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|O<2>}	125.9890	0.095	2	125.9890	0.009	2	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5a]N[5]S)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5a]N[5]S)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|S<1>}	123.8397	1.807	4	123.8397	3.266	4	123.7849	1.825	109	123.9879	2.735	118	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(CH3)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(CH3){4|H<1>}	128.2560	0.925	2	128.2560	0.855	2	128.2560	0.855	2	126.7137	7.564	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	126.7137	7.564	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CF3)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(CF3)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	122.3790	0.064	2	122.3790	0.004	2	122.1337	0.183	3	119.5147	4.579	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH){1|C<2>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	121.6430	0.000	1	121.6430	0.000	1	122.1337	0.183	3	119.5147	4.579	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]HH)(O)	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH){2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	120.3030	0.000	1	120.3030	0.000	1	120.3030	0.000	1	119.5147	4.579	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,8|H<1>}	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	117.5020	1.565	3	117.5020	2.450	3	118.0738	1.438	6	119.5147	4.579	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){1|O<2>,3|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O){2|C<4>}	118.4150	0.082	2	118.4150	0.007	2	118.0738	1.438	6	119.5147	4.579	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O){2|C<4>}	119.1070	0.000	1	119.1070	0.000	1	118.0738	1.438	6	119.5147	4.579	10	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:3:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH)	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH){1|C<3>,1|C<4>}	120.7170	0.000	1	120.7170	0.000	1	120.7170	0.000	1	123.4804	3.601	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:N[5]-3:	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH){1|N<3>,2|H<1>,3|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C){2|H<1>,7|C<4>}	123.0368	1.024	6	123.0368	1.049	6	123.8259	2.889	8	123.4804	3.601	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:N[5]-3:	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH){2|C<3>,4|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	126.1930	0.184	2	126.1930	0.034	2	123.8259	2.889	8	123.4804	3.601	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[3,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH)	C(N[5]C[3,5]C[5])(CClHH)(H)2	C[5](C[5]C[6a]C[5]C)(N[5]C[3,5]C)(O)	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	C(N[5]C[3,5]C[5])(CClHH)(H)2	C[5](C[5]C[6a]C[5]C)(N[5]C[3,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<3>,1|H<1>,2|O<2>}	125.2170	0.000	1	125.2170	0.000	1	125.2170	0.000	1	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH)	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(N[5]C[5,6,6]C)(O)	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(N[5]C[5,6,6]C)(O){2|C<3>,2|C<4>,3|H<1>}	124.8380	0.000	1	124.8380	0.000	1	124.8380	0.000	1	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[3,5]C[3,5,5,6]C[3,5,6]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[3,5]C[3,5,5,6]C[3,5,6]H)(N[5]C[5,6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.2290	0.000	1	123.2290	0.000	1	123.2290	0.000	1	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5](C[5,5]N[5,6]C[5]2)(N[5]C[5,6]C)(O)	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH){1|N<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5](C[5,5]N[5,6]C[5]2)(N[5]C[5,6]C)(O){4|C<4>,5|H<1>}	123.9140	0.000	1	123.9140	0.000	1	123.9140	0.000	1	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH){2|C<3>,5|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<4>,1|H<1>,2|C<3>}	122.7670	0.000	1	122.7670	0.000	1	121.2677	1.938	3	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CHHO)(H)2	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|W<7>,2|H<1>,4|C<4>}	C(N[5]C[5,6]C[5])(CHHO)(H)2	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O){2|C<4>,2|H<1>}	120.5180	0.710	2	120.5180	0.504	2	121.2677	1.938	3	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.5500	0.000	1	121.5500	0.000	1	122.0806	1.823	14	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.6493	0.216	3	120.6493	0.047	3	122.0806	1.823	14	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.2120	0.000	1	123.2120	0.000	1	122.0806	1.823	14	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.4790	0.789	4	123.4790	0.622	4	122.0806	1.823	14	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.1787	0.549	4	122.1787	0.302	4	122.0806	1.823	14	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[5,5,6]N[5,5,6]H)(N[5]C[5]C)(O)	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,5,6]C[5,5,6]N[5,5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	119.7870	0.000	1	119.7870	0.000	1	122.0806	1.823	14	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH){2|H<1>,2|O<2>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>,2|O<2>}	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.6400	1.345	2	122.6400	1.809	2	122.6400	1.809	2	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH){2|C<4>,5|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	122.9350	0.055	2	122.9350	0.003	2	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.5920	0.000	1	121.5920	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	120.8780	0.000	1	120.8780	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	122.7280	0.000	1	122.7280	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	122.5465	1.154	4	122.5465	1.332	4	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	121.5180	0.000	1	121.5180	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	122.4000	0.399	4	122.4000	0.159	4	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	124.2028	0.727	6	124.2028	0.528	6	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|S<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	122.3630	0.000	1	122.3630	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	123.5610	0.000	1	123.5610	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	123.6553	0.729	3	123.6553	0.532	3	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CRhHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CRhHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	125.3300	0.000	1	125.3300	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CBrHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(CBrHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	122.6590	0.000	1	122.6590	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|S<4>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|S<4>,2|H<1>}	122.7922	0.592	5	122.9121	0.415	8	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){2|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	122.2620	0.000	1	122.9121	0.415	8	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	123.5370	0.477	2	122.9121	0.415	8	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	122.6950	0.000	1	122.6950	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	123.1640	0.000	1	123.1640	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	122.5150	0.000	1	122.5150	0.000	1	123.0037	1.048	38	122.7384	1.624	63	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH){4|H<1>}	124.2680	0.000	1	124.2680	0.000	1	124.2680	0.000	1	124.2680	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:N[5]-3:	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2)	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH){3|H<1>,4|C<4>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2){1|O<2>,4|C<4>,6|H<1>}	131.7905	0.435	2	131.7905	0.189	2	131.7905	0.189	2	131.7905	0.189	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-4:N[5]-3:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCCS)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){4|H<1>}	C(N[5]C[5]2)(CCCS)(H)2	C[5](N[5]C[5]HH)(N[5]C[5]C)(CCCS){4|H<1>}	127.5520	0.000	1	127.5520	0.000	1	127.5520	0.000	1	127.5520	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:2:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:O-2:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)	C(N[5]C[5]2)(CCHH)(OSi)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO){1|H<1>,3|C<3>}	C(N[5]C[5]2)(CCHH)(OSi)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	2:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	O[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](O[5]C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH){2|C<4>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](O[5]C[5,6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CCHS)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(N[5]C[5]2)(CCHS)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|O<2>}	119.0540	0.000	1	119.0540	0.000	1	120.1575	1.132	4	120.0918	0.870	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|O<2>}	119.5540	0.000	1	119.5540	0.000	1	120.1575	1.132	4	120.0918	0.870	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CHHN)(CNO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(N[5]C[5]2)(CHHN)(CNO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|O<2>}	121.4330	0.000	1	121.4330	0.000	1	120.1575	1.132	4	120.0918	0.870	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CHHS)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(N[5]C[5]2)(CHHS)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|O<2>}	120.5890	0.000	1	120.5890	0.000	1	120.1575	1.132	4	120.0918	0.870	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:S[5]-2:O-1:	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CCH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(O)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH){2|H<1>}	C(N[5]C[5]2)(CCHH)(CCH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(O){4|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	120.0918	0.870	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CH3)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH){4|C<3>}	C(N[5]C[5]2)(CH3)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	117.8550	0.000	1	117.8550	0.000	1	122.2995	2.535	13	122.2995	2.535	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	124.1080	0.132	2	124.1080	0.017	2	122.2995	2.535	13	122.2995	2.535	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CCHO)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHO)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	121.8505	0.325	2	121.8505	0.105	2	122.2995	2.535	13	122.2995	2.535	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	122.5016	0.733	7	122.5016	0.537	7	122.2995	2.535	13	122.2995	2.535	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CH3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]2)(CH3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	122.6110	0.000	1	122.6110	0.000	1	122.2995	2.535	13	122.2995	2.535	13	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]O[5])	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH){4|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]O[5]){3|C<3>,3|H<1>}	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){4|H<1>}	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	118.9700	0.000	1	118.9700	0.000	1	122.5991	1.956	27	122.5991	1.956	27	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(N[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	122.2890	0.000	1	122.2890	0.000	1	122.5991	1.956	27	122.5991	1.956	27	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	122.7173	1.105	20	122.7173	1.221	20	122.5991	1.956	27	122.5991	1.956	27	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	123.0117	2.158	3	123.0117	4.659	3	122.5991	1.956	27	122.5991	1.956	27	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(N[5]C[5]2)(CSiCH)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	121.3160	0.000	1	121.3160	0.000	1	122.5991	1.956	27	122.5991	1.956	27	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	124.2200	0.000	1	124.2200	0.000	1	122.5991	1.956	27	122.5991	1.956	27	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMg)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,3|H<1>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMg){1|C<3>,3|H<1>}	121.6620	0.000	1	121.7730	0.444	3	122.0025	0.507	4	122.0025	0.507	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMg)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<4>,3|H<1>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMg){1|C<4>,3|H<1>}	121.8285	0.933	2	121.7730	0.444	3	122.0025	0.507	4	122.0025	0.507	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-2:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OZn)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OZn){4|H<1>}	122.6910	0.000	1	122.6910	0.000	1	122.0025	0.507	4	122.0025	0.507	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(S[5]C[5])(S)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH){2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(S[5]C[5])(S){4|H<1>}	123.1390	0.000	1	123.1390	0.000	1	123.1390	0.000	1	121.9685	2.740	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:S-4:C-4:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS)	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS){2|H<1>}	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,3|H<1>}	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	121.9685	2.740	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<3>,3|H<1>}	121.6310	0.692	3	121.6310	0.478	3	121.6310	0.478	3	121.6310	0.478	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH)	C(N[5]B[5]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH){6|C<3>}	C(N[5]B[5]C[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH)	C(N[5]B[5]C[5])(CH3)2(H)	C[5](N[5]B[5]C)(N[5]C[5]C)(H)	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH){1|C<4>,1|O<1>,4|C<3>}	C(N[5]B[5]C[5])(CH3)2(H)	C[5](N[5]B[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>}	119.4210	0.000	1	119.4210	0.000	1	119.4210	0.000	1	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH)	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH){2|C<3>}	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH)	C(N[5]C[5,5]C[5])(CH3)2(H)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S)	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(CH3)2(H)	C[5](N[5]C[5,5]C)(N[5]C[5]C)(S){1|S<1>,2|N<3>}	127.6700	0.000	1	127.6700	0.000	1	127.6700	0.000	1	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	124.0470	0.000	1	124.0470	0.000	1	122.9590	2.367	2	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	121.8710	0.000	1	121.8710	0.000	1	122.9590	2.367	2	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	124.0658	0.704	5	124.0658	0.495	5	124.7824	1.834	7	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){2|Cl<1>,1|C<4>}	126.5740	0.192	2	126.5740	0.037	2	124.7824	1.834	7	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:1:	S[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]S[5])(CHHO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(N[5]C[5]S[5])(CHHO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	125.4130	0.000	1	125.4130	0.000	1	125.4130	0.000	1	123.9140	5.474	14	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:3:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH)	C(N[5]Ga[5]C[5])(CH3)2(H)	C[5](N[5]Ga[5]C)(C[5]N[5]C)(CCH)	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>}	C(N[5]Ga[5]C[5])(CH3)2(H)	C[5](N[5]Ga[5]C)(C[5]N[5]C)(CCH){1|O<3>,2|C<4>}	121.6810	0.830	4	121.6810	0.689	4	121.6810	0.689	4	122.7516	6.247	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:3:	P[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH)	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH)	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH){4|C<3>}	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH){1|H<1>,1|O<1>,3|C<3>}	127.0340	0.000	1	127.0340	0.000	1	127.0340	0.000	1	122.7516	6.247	5	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH)	C(N[5]C[5,6]C[5])(CH3)2(H)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(CH3)2(H)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	124.7070	0.000	1	124.7070	0.000	1	124.7070	0.000	1	124.7070	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH)	C(N[5]C[5,5]C[5])(CH3)2(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH){2|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(CH3)2(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.6750	0.000	1	124.6750	0.000	1	124.6750	0.000	1	124.0225	1.207	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCCH){1|Fe<10>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]C)(O){1|H<1>,4|C<4>}	123.0670	0.000	1	123.0670	0.000	1	123.0670	0.000	1	124.0225	1.207	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H){2|C<4>,2|H<1>}	124.4260	0.000	1	124.4260	0.000	1	124.4260	0.000	1	124.0225	1.207	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH){4|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	123.5040	0.301	2	123.5040	0.091	2	123.7628	1.440	5	124.0225	1.207	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){1|C<2>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	123.7630	0.000	1	123.7630	0.000	1	123.7628	1.440	5	124.0225	1.207	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){3|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	124.0215	2.324	2	124.0215	5.402	2	123.7628	1.440	5	124.0225	1.207	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:Si-4:Si-4:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H)	C(N[5]C[5]2)(SiC3)2(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O)	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(SiC3)2(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.7910	0.000	1	122.7910	0.000	1	124.4217	1.994	3	124.0225	1.207	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:Si-4:Si-4:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H)	C(N[5]C[5]2)(SiC3)2(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O)	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(SiC3)2(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,3|H<1>}	125.2370	0.000	2	125.2370	0.000	2	124.4217	1.994	3	124.0225	1.207	11	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	123.2347	5.898	3	123.2347	34.786	3	123.2347	34.786	3	123.1437	8.961	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:N-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(NCH)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH){2|H<1>,4|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(NCH){1|C<3>,3|H<1>}	123.0982	0.644	6	123.0982	0.415	6	123.0982	0.415	6	123.1437	8.961	9	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	5:3:2:	Si[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[3x3,4x5,12x6]-5:N[5]-3:N-2:	N[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]O[5])(C[5]C[3x3,4x5,12x6]N)(CCCH)	C(N[5]Si[5,5]C[5])(CH3)2(H)	C[5](C[3x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(N[5]Si[5,5]C)(NC)	N[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]O[5])(C[5]C[3x3,4x5,12x6]N)(CCCH){1|B<5>,1|C<4>,2|C<3>,4|B<6>}	C(N[5]Si[5,5]C[5])(CH3)2(H)	C[5](C[3x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(N[5]Si[5,5]C)(NC){1|B<4>,1|B<5>,1|C<3>,1|O<2>,3|H<1>,4|B<6>}	116.9740	0.000	1	116.9740	0.000	1	116.9740	0.000	1	116.9740	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	6:3:2:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N[5](Si[5]C[5x3,6x5,20x6]C[5]B)(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[5]C[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC)	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>}	C(N[5]Si[5]C[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC){1|B<4>,1|C<3>,4|H<1>,5|B<6>}	115.1670	0.000	1	115.1670	0.000	1	117.4725	10.631	2	117.4725	10.631	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	6:3:2:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N[5](Si[5]C[5x3,6x5,20x6]SiH)(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[5]C[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC)	N[5](Si[5]C[5x3,6x5,20x6]SiH)(C[5]C[5x3,6x5,20x6]N)(CCCH){6|B<6>}	C(N[5]Si[5]C[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C)(NC){1|Si<4>,5|B<6>,5|H<1>}	119.7780	0.000	1	119.7780	0.000	1	117.4725	10.631	2	117.4725	10.631	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]H)(CC3)	C(N[5]B[5]C[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]H)(CC3){2|C<3>,2|H<1>,4|C<4>}	C(N[5]B[5]C[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	118.5330	0.000	1	118.5330	0.000	1	120.0205	4.425	2	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	B[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(CC3)	C(N[5]B[5]C[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(CC3){4|C<3>}	C(N[5]B[5]C[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	121.5080	0.000	1	121.5080	0.000	1	120.0205	4.425	2	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[3,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:O-1:	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	C(N[5]C[3,5]C[5])(CH3)3	C[5](N[5]C[3,5]C)(C[5]N[5]O)(O)	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3){1|C<3>,1|O<1>,2|C<4>}	C(N[5]C[3,5]C[5])(CH3)3	C[5](N[5]C[3,5]C)(C[5]N[5]O)(O){1|C<4>,2|C<3>}	121.2097	0.360	4	121.2097	0.130	4	121.2097	0.130	4	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C[5](N[5]C[5,5]C)(C[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3){6|C<3>}	C(N[5]C[5,5]C[5])(CH3)3	C[5](N[5]C[5,5]C)(C[5]C[5]C)(O){3|C<3>}	121.5410	0.242	2	121.5410	0.058	2	121.1750	0.201	4	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:O-1:	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C[5](N[5]C[5,5]C)(C[5]N[5]O)(O)	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,5]C[5])(CH3)3	C[5](N[5]C[5,5]C)(C[5]N[5]O)(O){1|O<2>,2|C<4>}	120.8090	0.089	2	120.8090	0.008	2	121.1750	0.201	4	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(CH3)3	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	120.1690	0.004	2	120.1690	0.000	2	120.1690	0.000	2	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]O)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>}	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O){1|C<4>,2|O<2>}	123.5133	0.705	3	123.5133	0.497	3	123.5133	0.497	3	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3){2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	124.7095	0.151	2	124.7095	0.023	2	124.7095	0.023	2	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]H)(N[5]C[5]C)(H){1|C<4>,2|H<1>}	128.5240	0.000	1	128.5240	0.000	1	127.4080	1.126	3	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]IrS)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]IrS)(C[5]C[5]H)(CC3){1|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<5>,1|S<2>}	127.2880	0.000	1	127.2880	0.000	1	127.4080	1.126	3	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]ZrS)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]ZrS)(C[5]C[5]H)(CC3){1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zr<11>,1|S<2>}	126.4120	0.000	1	126.4120	0.000	1	127.4080	1.126	3	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3){3|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	124.7015	0.168	2	124.7015	0.028	2	123.6913	2.777	13	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|O<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	126.0480	0.000	1	126.0480	0.000	1	123.6913	2.777	13	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|H<1>,2|C<4>}	122.4588	0.173	4	122.4588	0.030	4	123.6913	2.777	13	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O){2|Cl<1>,1|C<4>}	121.3865	0.013	2	121.3865	0.000	2	123.6913	2.777	13	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:O-1:	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>}	124.9820	0.865	4	124.9820	0.749	4	123.6913	2.777	13	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(H){4|H<1>}	127.8060	0.651	6	127.8060	0.424	6	127.8060	0.424	6	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.0095	0.523	2	121.0095	0.273	2	122.3327	0.862	19	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	123.1432	0.422	6	122.8228	0.251	13	122.3327	0.862	19	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,3|H<1>}	122.8085	0.261	2	122.8228	0.251	13	122.3327	0.862	19	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	122.4442	0.425	5	122.8228	0.251	13	122.3327	0.862	19	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){3|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)(N[5]C[5]H)(O){4|H<1>}	122.2750	0.000	1	122.2750	0.000	1	122.3327	0.862	19	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,3|H<1>}	120.6865	0.209	2	120.6865	0.044	2	122.3327	0.862	19	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|H<1>,1|O<1>}	121.9580	0.000	1	121.9580	0.000	1	122.3327	0.862	19	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Ga[4,5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	C(N[5]Ga[4,5,5]C[5])(CH3)3	C[5](N[5]Ga[4,5,5]C)(C[5]N[4,5]H)(H)	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	C(N[5]Ga[4,5,5]C[5])(CH3)3	C[5](N[5]Ga[4,5,5]C)(C[5]N[4,5]H)(H){1|Ga<4>,1|C<4>,1|N<3>,1|N<4>}	118.5249	1.821	14	118.5249	3.317	14	118.5249	3.317	14	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](Ga[5]N[5]CN)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C[5](C[5]Ga[5]N[5])(N[5]Ga[5]C)(H)	N[5](Ga[5]N[5]CN)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>}	C(N[5]Ga[5]C[5])(CH3)3	C[5](C[5]Ga[5]N[5])(N[5]Ga[5]C)(H){2|C<4>,4|N<3>}	119.0290	0.000	1	119.0290	0.000	1	119.0290	0.000	1	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Ga[5]C[5]N[5]N)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]C[5]N[5]N)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<3>}	117.6640	0.054	2	117.6640	0.003	2	120.0530	2.694	10	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Ga[5]Ga[5]N[5]I)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]Ga[5]N[5]I)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|N<3>}	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|Ga<4>,1|C<4>,1|I<1>}	119.7020	0.440	2	119.7020	0.193	2	120.0530	2.694	10	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Ga[5]N[5]AsI)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]N[5]AsI)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|As<3>,1|C<4>,1|I<1>}	120.4815	0.687	2	120.4815	0.471	2	120.0530	2.694	10	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Ga[5]N[5]CC)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]N[5]CC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){3|C<4>}	121.5365	0.450	2	121.5365	0.203	2	120.0530	2.694	10	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Ga[5]N[5]IP)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]N[5]IP)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]Ga[5]C[5])(CH3)3	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|C<4>,1|I<1>,1|P<3>}	120.8810	2.360	2	120.8810	5.571	2	120.0530	2.694	10	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	P[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](P[5]N[5]Pt2)(C[5]C[5]H)(CC3)	C(N[5]C[5]P[5])(CH3)3	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](P[5]N[5]Pt2)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]P[5])(CH3)3	C[5](C[5]N[5]H)(N[5]P[5]C)(H){2|Pt<3>,1|C<4>}	120.3663	0.695	6	120.3663	0.484	6	120.3663	0.484	6	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Si[3x5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5]C[5]H)(CC3)	C(N[5]Si[3x5]C[5])(CH3)3	C[5](N[5]Si[3x5]C)(C[5]N[5]H)(H)	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>}	C(N[5]Si[3x5]C[5])(CH3)3	C[5](N[5]Si[3x5]C)(C[5]N[5]H)(H){1|P<3>,2|C<4>}	117.8645	0.286	2	117.8645	0.082	2	117.8645	0.082	2	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Si[4,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3)	C(N[5]Si[4,5]C[5])(CH3)3	C[5](N[5]Si[4,5]C)(C[5]N[5]H)(H)	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(N[5]Si[4,5]C[5])(CH3)3	C[5](N[5]Si[4,5]C)(C[5]N[5]H)(H){2|As<3>,1|C<4>}	118.6750	0.849	2	118.6750	0.720	2	117.9747	1.831	3	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Si[4,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3)	C(N[5]Si[4,5]C[5])(CH3)3	C[5](N[5]Si[4,5]C)(C[5]N[4,5]H)(H)	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(N[5]Si[4,5]C[5])(CH3)3	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>}	116.5740	0.000	1	116.5740	0.000	1	117.9747	1.831	3	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Si[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Si[5,5]N[5]3)(C[5]C[5]H)(CC3)	C(N[5]Si[5,5]C[5])(CH3)3	C[5](N[5]Si[5,5]C)(C[5]N[5]H)(H)	N[5](Si[5,5]N[5]3)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|B<3>,2|N<2>}	C(N[5]Si[5,5]C[5])(CH3)3	C[5](N[5]Si[5,5]C)(C[5]N[5]H)(H){1|C<4>,2|N<3>}	120.0060	0.105	2	120.0060	0.011	2	120.0060	0.011	2	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Si[5]C[5]N[5]As)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	N[5](Si[5]C[5]N[5]As)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C(N[5]Si[5]C[5])(CH3)3	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|As<2>,1|C<3>,1|C<4>}	119.3855	0.576	2	119.3855	0.332	2	118.8460	0.418	8	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Si[5]C[6]N[5]I)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	N[5](Si[5]C[6]N[5]I)(C[5]C[5]H)(CC3){1|N<3>,2|C<4>,2|H<1>}	C(N[5]Si[5]C[5])(CH3)3	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|I<1>,2|C<4>}	118.4590	0.700	2	118.4590	0.490	2	118.8460	0.418	8	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Si[5]N[5]NO)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	N[5](Si[5]N[5]NO)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]Si[5]C[5])(CH3)3	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|C<4>,1|N<3>,1|O<2>}	119.1780	0.626	2	119.1780	0.392	2	118.8460	0.418	8	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](Si[5]N[5]Pd2)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	N[5](Si[5]N[5]Pd2)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(N[5]Si[5]C[5])(CH3)3	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){2|Pd<3>,1|C<4>}	118.3615	0.370	2	118.3615	0.137	2	118.8460	0.418	8	121.4691	8.540	104	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:N-2:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3){2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	122.8165	0.172	2	122.8165	0.030	2	122.8165	0.030	2	124.1323	5.209	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NTi)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NTi){4|H<1>}	126.7640	0.000	1	126.7640	0.000	1	126.7640	0.000	1	124.1323	5.209	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|S<1>}	124.1165	0.872	2	125.1825	1.872	4	124.8414	0.898	18	124.8414	0.898	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|S<2>}	126.2485	0.558	2	125.1825	1.872	4	124.8414	0.898	18	124.8414	0.898	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<3>,1|C<4>}	124.9145	0.053	2	124.8678	0.300	4	124.8414	0.898	18	124.8414	0.898	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,1|C<3>,1|C<4>}	124.8210	0.943	2	124.8678	0.300	4	124.8414	0.898	18	124.8414	0.898	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]FS)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]FS)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|F<1>,1|S<1>}	125.7725	0.185	2	125.7725	0.034	2	124.8414	0.898	18	124.8414	0.898	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<1>}	124.3672	0.979	4	124.3672	0.959	4	124.8414	0.898	18	124.8414	0.898	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CH3)3	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|O<2>}	124.4828	0.860	4	124.4828	0.740	4	124.8414	0.898	18	124.8414	0.898	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CCHH)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(CCHH){4|H<1>}	129.6750	0.260	2	129.6750	0.068	2	129.6750	0.068	2	129.6750	0.068	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:4:1:	P[4,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:C[5]-4:O-1:	N[5](P[4,5]C[5]N[4]2)(C[5]C[5]O)(CC3)	C(N[5]P[4,5]C[5])(CH3)3	C[5](N[5]P[4,5]C)(C[5]C[5]HO)(O)	N[5](P[4,5]C[5]N[4]2)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>,1|O<2>,1|P<3>,2|C<4>}	C(N[5]P[4,5]C[5])(CH3)3	C[5](N[5]P[4,5]C)(C[5]C[5]HO)(O){1|C<3>,2|N<3>}	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5,5]C[5,5,6]N[5]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5,5]C[5,5,6]N[5]H)(N[5]C[5,6]C)(O){1|H<1>,2|C<4>,3|C<3>}	122.4940	0.000	1	122.4940	0.000	1	122.4940	0.000	1	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5,6]C[5,6,6]N[6]H)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5,6]C[5,6,6]N[6]H)(N[5]C[5,6]C)(O){1|H<1>,2|C<4>,3|C<3>}	123.7940	0.000	1	123.7940	0.000	1	123.7940	0.000	1	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(CH3)3	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){2|C<4>,2|H<1>}	122.9650	0.000	1	122.9650	0.000	1	122.9650	0.000	1	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,5]-4:N[5]-3:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5,5]C[5,5]B[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3){1|B<4>,1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5,5]C[5,5]B[5]H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	126.7940	0.544	2	126.7940	0.296	2	126.7940	0.296	2	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[5]CC)(C[5]C[5]H)(CC3){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(H){2|C<4>,2|H<1>}	120.1600	0.000	1	120.1600	0.000	1	120.1600	0.000	1	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	123.1710	0.000	1	123.1710	0.000	1	123.5923	0.650	11	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|Si<4>,1|C<3>,2|H<1>}	123.4960	0.000	2	123.4960	0.000	2	123.5923	0.650	11	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){3|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	122.9870	0.592	4	122.9870	0.350	4	123.5923	0.650	11	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	124.8420	0.000	1	124.8420	0.000	1	123.5923	0.650	11	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CHHO)(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(O)	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3){2|H<1>}	C(N[5]C[5]2)(CHHO)(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>}	124.1873	0.764	3	124.1873	0.583	3	123.5923	0.650	11	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	P[5]-4:N[5]-3:O-1:	N[5](Si[5]O[5]CC)(C[5]P[5]O)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C[5](P[5]O[5]CW)(N[5]Si[5]C)(O)	N[5](Si[5]O[5]CC)(C[5]P[5]O)(CC3){1|C<4>,1|W<6>}	C(N[5]Si[5]C[5])(CH3)3	C[5](P[5]O[5]CW)(N[5]Si[5]C)(O){2|C<4>}	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	123.4582	3.253	18	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[3,5]-4:N[5]-3:N-2:	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NS)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(NS){5|H<1>}	125.3690	0.000	1	125.3690	0.000	1	125.3690	0.000	1	125.3690	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH){2|C<3>}	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	123.9330	0.074	2	123.9330	0.005	2	123.9330	0.005	2	124.5269	0.626	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH){1|C<4>,2|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){4|H<1>}	124.9575	0.361	2	124.9575	0.131	2	124.9575	0.131	2	124.5269	0.626	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:O-1:	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH){1|C<3>,1|N<2>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,2|H<1>}	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	124.5269	0.626	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	P-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP)	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP){1|C<4>,2|H<1>}	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(H){4|H<1>}	125.2780	0.180	2	125.2780	0.032	2	125.2780	0.032	2	124.5269	0.626	7	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH){3|H<1>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){4|H<1>}	127.0570	0.000	1	127.0570	0.000	1	127.0570	0.000	1	127.0570	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[4]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH)	C(C[4]C[4]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH){4|H<1>}	C(C[4]C[4]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	121.6700	0.000	1	121.6700	0.000	1	121.6700	0.000	1	122.8380	2.728	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	124.0060	0.000	1	124.0060	0.000	1	124.0060	0.000	1	122.8380	2.728	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H)	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H){2|C<3>}	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	123.6755	4.110	2	123.6755	16.895	2	123.6755	16.895	2	123.6755	16.895	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:4:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH)	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH){2|H<1>}	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	123.9617	0.450	3	123.9617	0.203	3	123.9617	0.203	3	123.9617	0.203	3	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:4:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6]-4:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C[5](N[5]C[5]C)2(S){4|H<1>}	124.7790	0.000	1	124.7790	0.000	1	124.7790	0.000	1	124.7790	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:4:3:	3:3:3:1:	3:3:1:	B[5]-4:C-4:C[5]-3:	C[5a]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H)	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	125.0230	0.000	1	125.0230	0.000	1	125.0230	0.000	1	125.0230	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:4:3:	3:3:3:1:	4:3:1:	C-4:C[5]-4:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	121.2375	1.166	2	121.2375	1.360	2	121.0777	0.545	4	121.0777	0.545	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:4:3:	3:3:3:1:	4:3:1:	C-4:C[5]-4:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	120.9180	0.417	2	120.9180	0.174	2	121.0777	0.545	4	121.0777	0.545	4	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	4:4:3:	4:3:1:1:	4:3:1:	C[5]-4:C-4:C[5]-3:	C[3x6]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>}	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	5:3:4:	3:4:1:1:	3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,2|O<2>}	122.1035	1.476	2	122.1035	2.178	2	122.0990	3.085	8	122.0990	3.085	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	5:3:4:	3:4:1:1:	3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	122.8145	2.884	2	122.8145	8.319	2	122.0990	3.085	8	122.0990	3.085	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	5:3:4:	3:4:1:1:	3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,3|O<2>}	122.1800	2.404	2	122.1800	5.780	2	122.0990	3.085	8	122.0990	3.085	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	5:3:4:	3:4:1:1:	3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	121.2980	1.732	2	121.2980	3.001	2	122.0990	3.085	8	122.0990	3.085	8	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	5:3:4:	3:4:4:1:	6:3:2:	Si[3,5]-5:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N[5](Si[3,5]C[5x3,6x5,20x6]C[3]2C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[3,5]C[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[3,5]C)(NC)	N[5](Si[3,5]C[5x3,6x5,20x6]C[3]2C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|C<3>,2|N<3>,6|B<6>}	C(N[5]Si[3,5]C[5])(CH3)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[3,5]C)(NC){3|C<3>,4|H<1>,5|B<6>}	116.6630	0.000	1	116.6630	0.000	1	116.6630	0.000	1	116.6630	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	6:3:4:	3:1:1:1:	3:3:1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3)	C(N[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5]C[5x3,6x5,20x6]C)(N[5]C[5x3,6x5,20x6]C)(H)	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3){1|C<4>,4|H<1>,5|B<6>}	C(N[5]C[5x3,6x5,20x6]C[5])(H)3	C[5](C[5]C[5x3,6x5,20x6]C)(N[5]C[5x3,6x5,20x6]C)(H){6|B<6>}	126.7600	0.000	1	126.7600	0.000	1	126.7600	0.000	1	126.7600	0.000	1	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP2_SP2_SP3	N[5]	C	C[5]	6:3:4:	3:4:4:4:	3:3:4:	Nb[5,5]-6:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-3:C-4:	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(CC3)	C(N[5]Nb[5,5]C[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3)	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(CC3){1|C<4>,5|C<3>}	C(N[5]Nb[5,5]C[5])(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.8785	0.473	2	121.8785	0.224	2	121.8785	0.224	2	121.8785	0.224	2	125.0159	5.816	24782	125.0201	5.809	24962
542	490	818	0:SP3_SP2_SP3	N[5,6]	C	C[5,6]	4:3:4:	3:3:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O)	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	121.4450	0.000	1	121.4450	0.000	1	121.8435	0.318	2	121.8435	0.318	2	121.8435	0.318	2	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5,6]	C	C[5,6]	4:3:4:	3:3:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C-4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(N[5,6]C[5,5,6]C)(O)	N[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(N[5,6]C[5,5,6]C)(O){2|C<3>,2|H<1>,3|C<4>}	122.2420	0.000	1	122.2420	0.000	1	121.8435	0.318	2	121.8435	0.318	2	121.8435	0.318	2	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,5]	3:4:4:	3:3:1:1:	3:3:2:	C[5,5]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5,5]-3:N[5]-3:N[5]-2:	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]C[5])	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])2(H)2	C[5,5](N[5,5]C[5]2)(N[5]C[5]C)(N[5]C[5]){8|H<1>}	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6]-3:C[5,6]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	118.7693	4.630	6	118.7693	21.437	6	118.7693	21.437	6	118.7693	21.437	6	121.2504	16.667	14	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	124.9100	0.000	1	124.9100	0.000	1	124.9100	0.000	1	124.9100	0.000	1	121.2504	16.667	14	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]N[6])	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]N[6]){1|C<3>,7|H<1>}	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	121.2504	16.667	14	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	125.3800	0.000	1	125.3800	0.000	1	123.4790	7.228	2	123.4790	7.228	2	121.2504	16.667	14	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	121.5780	0.000	1	121.5780	0.000	1	123.4790	7.228	2	123.4790	7.228	2	121.2504	16.667	14	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH){1|N<3>,1|O<1>,2|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	121.2504	16.667	14	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CHOO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CHOO)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	124.9940	0.000	1	124.9940	0.000	1	124.9940	0.000	1	123.8047	1.392	3	121.2504	16.667	14	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH)	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|N<3>,8|H<1>}	123.2100	0.813	2	123.2100	0.661	2	123.2100	0.661	2	123.8047	1.392	3	121.2504	16.667	14	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-3:	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(CC[6a]O)	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(CC[6a]O){2|C<4>}	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	93.0955	0.000	1	93.0955	0.000	1	93.0955	0.000	1	120.8963	1545.763	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	148.6970	0.000	1	148.6970	0.000	1	148.6970	0.000	1	120.8963	1545.763	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	118.3725	0.301	2	118.3725	0.090	2	118.3725	0.090	2	119.6495	8.704	4	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	120.9265	4.416	2	120.9265	19.500	2	120.9265	19.500	2	119.6495	8.704	4	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3){1|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<3>}	119.8480	0.000	1	119.8480	0.000	1	118.8033	6.318	3	119.4465	5.866	4	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	C(N[5]C[5]2)(H)3	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	118.2810	3.316	2	118.2810	10.998	2	118.8033	6.318	3	119.4465	5.866	4	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	119.4465	5.866	4	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	C(N[5]C[5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	C(N[5]C[5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH){1|O<1>,5|C<3>}	115.4230	0.989	2	115.4230	0.977	2	115.4230	0.977	2	115.4230	0.977	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:2:3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(NHH)	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](N[5]N[5]C)(N[5]C[5])(NHH){1|C<3>,1|N<3>}	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](N[5]C[5,5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	121.3640	0.000	1	121.3640	0.000	1	121.3640	0.000	1	125.8200	9.125	4	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	127.3053	0.670	3	127.3053	0.450	3	127.3053	0.450	3	125.8200	9.125	4	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	C(N[5]C[5]N[5])(CCC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5]N[5])(CCC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<9>,2|H<1>,3|C<3>}	128.4140	0.000	1	128.4140	0.000	1	128.4140	0.000	1	128.4140	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CNO)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	123.3680	0.632	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O)	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O){1|O<1>,3|C<4>,4|H<1>}	123.9300	0.000	1	123.9300	0.000	1	123.9300	0.000	1	123.3680	0.632	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:3:3:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:2:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>}	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	117.0460	0.000	1	117.0460	0.000	1	117.0460	0.000	1	120.0306	26.549	5	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.1220	0.000	1	121.1220	0.000	1	121.1220	0.000	1	120.0306	26.549	5	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(H){2|H<1>}	128.5000	0.000	1	128.5000	0.000	1	128.5000	0.000	1	120.0306	26.549	5	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	117.9140	0.000	1	117.9140	0.000	1	116.7425	2.745	2	120.0306	26.549	5	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	115.5710	0.000	1	115.5710	0.000	1	116.7425	2.745	2	120.0306	26.549	5	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:S[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a]){1|C<4>,4|C<3>}	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|C<4>,2|O<2>,4|C<3>}	121.8750	0.000	1	123.2310	1.574	3	123.2310	1.574	3	123.2310	1.574	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|H<1>,2|O<2>,4|C<3>}	123.4680	0.000	1	123.2310	1.574	3	123.2310	1.574	3	123.2310	1.574	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|O<2>,5|C<3>}	124.3500	0.000	1	123.2310	1.574	3	123.2310	1.574	3	123.2310	1.574	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	122.8720	7.880	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O)	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	C(N[5]C[5]N[5])(CCHH)(H)2	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O){1|O<1>,3|C<4>,4|H<1>}	124.8570	0.000	1	124.8570	0.000	1	124.8570	0.000	1	122.8720	7.880	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:N-2:	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(N[5]C[5]C)(NH)	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(N[5]C[5]C)(NH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.2620	0.000	1	123.2620	0.000	1	123.2620	0.000	1	119.3510	11.587	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	117.7350	0.000	1	117.7350	0.000	1	117.3955	0.231	2	119.3510	11.587	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	117.0560	0.000	1	117.0560	0.000	1	117.3955	0.231	2	119.3510	11.587	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:N[5]-2:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH){2|C<3>,2|C<4>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	128.3670	0.000	1	128.3670	0.000	1	128.3670	0.000	1	128.3670	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:3:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[3,5]-4:N[5]-3:O-1:	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH){2|C<3>,2|C<4>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	120.5800	0.000	1	120.5800	0.000	1	120.5800	0.000	1	120.5800	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	122.9140	0.000	1	122.9140	0.000	1	122.9310	0.001	2	122.9310	0.001	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|O<1>}	122.9480	0.000	1	122.9480	0.000	1	122.9310	0.001	2	122.9310	0.001	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)2(NCuC){2|C<4>}	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	3:3:4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	124.7560	0.000	1	124.7560	0.000	1	124.7560	0.000	1	124.7560	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:1:	4:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:N-2:	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	120.9970	0.000	1	120.9970	0.000	1	120.9970	0.000	1	119.0830	3.125	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:1:	P[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:H-1:	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]P[5])(CH3)3	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C(N[5]C[5]P[5])(CH3)3	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|C<4>,1|P<3>}	118.1260	0.868	2	118.1260	0.754	2	118.1260	0.754	2	119.0830	3.125	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	3:4:4:4:	3:3:2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NSi)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(NSi){2|H<1>}	125.0480	0.000	1	125.0480	0.000	1	125.0480	0.000	1	125.0480	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:3:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[6,6]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	120.7600	0.146	2	120.7600	0.021	2	120.7600	0.021	2	120.7600	0.021	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2{2|C<3>,6|H<1>}	126.4070	0.000	1	126.4070	0.000	1	126.4070	0.000	1	119.3053	57.137	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	115.7545	6.215	2	115.7545	38.623	2	115.7545	38.623	2	119.3053	57.137	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	2:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	O[5]-2:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](O[5]C[5,5])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	C(N[5]C[5]2)(H)3	C[5](O[5]C[5,5])(N[5]C[5]C)(O){1|N<3>,1|O<2>,2|H<1>}	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	121.6970	0.000	1	121.6970	0.000	1	121.6970	0.000	1	121.6970	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:N-2:	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(O[5]C[5,5])(NC[6a])	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(O[5]C[5,5])(NC[6a]){1|H<1>,2|C<3>}	121.9700	0.000	1	121.9700	0.000	1	121.9700	0.000	1	121.9700	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(NHH)	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)(N[5]C[5])(NHH){1|C<4>,1|H<1>,1|O<1>}	122.3610	0.000	1	122.3610	0.000	1	122.3610	0.000	1	122.3610	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CH3)	C(N[5]C[5,5,6]C[5])(H)3	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H)	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>,3|C<3>}	C(N[5]C[5,5,6]C[5])(H)3	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.6670	1.517	2	120.6670	2.303	2	120.6670	2.303	2	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|H<1>}	122.3490	0.000	1	121.7705	0.669	2	121.1953	0.417	6	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O){2|C<4>,2|H<1>}	121.1920	0.000	1	121.7705	0.669	2	121.1953	0.417	6	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	120.7140	0.000	1	120.7140	0.000	1	121.1953	0.417	6	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(H)3	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	120.9723	0.431	3	120.9723	0.185	3	121.1953	0.417	6	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.7580	0.000	1	119.7580	0.000	1	119.7580	0.000	1	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|C<3>}	119.8810	0.228	2	119.8810	0.052	2	121.0495	2.034	4	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	122.7610	0.000	1	122.2180	0.590	2	121.0495	2.034	4	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	121.6750	0.000	1	122.2180	0.590	2	121.0495	2.034	4	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3){1|C<4>,4|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5,6]C)(N[5]C[5]C)(O){1|C<4>,3|C<3>}	120.0510	0.000	1	120.0510	0.000	1	120.5801	1.036	10	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	120.7403	0.640	3	120.7403	0.410	3	120.5801	1.036	10	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	118.7930	0.000	1	118.7930	0.000	1	120.5801	1.036	10	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){4|H<1>}	121.8710	0.000	1	121.8710	0.000	1	120.5801	1.036	10	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|N<2>}	121.5860	0.000	1	120.6370	1.801	2	120.5801	1.036	10	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,1|O<1>}	119.6880	0.000	1	120.6370	1.801	2	120.5801	1.036	10	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(O){2|C<3>,2|H<1>}	120.7955	1.179	2	120.7955	1.389	2	120.5801	1.036	10	120.7940	1.028	23	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[3])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[3]){4|H<1>}	122.0260	1.891	2	122.0260	3.575	2	122.0262	3.107	22	122.0262	3.107	22	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]){4|H<1>}	121.5638	1.475	6	121.5638	2.174	6	122.0262	3.107	22	122.0262	3.107	22	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6]){4|H<1>}	123.8840	1.650	2	123.8840	2.724	2	122.0262	3.107	22	122.0262	3.107	22	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6a])	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6a]){4|H<1>}	120.9031	1.879	7	120.9031	3.531	7	122.0262	3.107	22	122.0262	3.107	22	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NP){4|H<1>}	123.1750	0.000	1	123.1750	0.000	1	122.0262	3.107	22	122.0262	3.107	22	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5])	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]){2|C<3>,2|H<1>}	123.4690	0.276	4	123.4690	0.076	4	122.0262	3.107	22	122.0262	3.107	22	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]H){4|H<1>}	123.3790	0.000	1	123.3790	0.000	1	122.8561	3.334	16	122.9893	3.427	17	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]Pd)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]Pd){4|H<1>}	123.7250	0.000	1	123.7250	0.000	1	122.8561	3.334	16	122.9893	3.427	17	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]Zn)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[5]Zn){4|H<1>}	123.0295	0.227	2	123.0295	0.052	2	122.8561	3.334	16	122.9893	3.427	17	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6a]Cu)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NC[6a]Cu){4|H<1>}	124.2923	0.885	6	124.2923	0.783	6	122.8561	3.334	16	122.9893	3.427	17	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCuC)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	C[5](N[5]C[5]C)2(NCuC){4|H<1>}	121.1302	1.715	6	121.1302	2.941	6	122.8561	3.334	16	122.9893	3.427	17	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	3:3:3:	S[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3)	C(N[5]C[5]S[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3){2|C<3>}	C(N[5]C[5]S[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH){1|H<1>,2|C<3>,2|O<1>}	125.1200	0.000	1	125.1200	0.000	1	125.1200	0.000	1	122.9893	3.427	17	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3)	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3){1|C<2>,3|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O){2|C<4>,2|H<1>}	121.0400	0.000	1	121.0400	0.000	1	121.0400	0.000	1	123.2630	9.883	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C(N[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	125.4860	0.000	1	125.4860	0.000	1	125.4860	0.000	1	123.2630	9.883	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(O[5]C[5,6])(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	118.4257	2.152	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,2|C<4>}	118.8190	0.000	1	117.8105	2.034	2	117.8105	2.034	2	118.4257	2.152	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|H<1>,3|C<4>}	116.8020	0.000	1	117.8105	2.034	2	117.8105	2.034	2	118.4257	2.152	3	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a])	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]){1|C<4>,3|H<1>}	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:2:3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-2:N[5]-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5,6])(N[5]C[5]C)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH){6|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5,6])(N[5]C[5]C){3|H<1>,5|C<3>}	124.9170	0.000	1	124.9170	0.000	1	124.9170	0.000	1	124.9170	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O)	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O){1|O<2>,2|C<4>,2|H<1>,2|N<3>}	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,5]-3:N[5]-3:O-1:	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,6a]C[3x5])(N[5]C[5,5]C)(O){1|H<1>,2|C<4>,3|C<3>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	119.3240	2.321	2	119.3240	5.386	2	119.3240	5.386	2	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	120.4280	0.000	1	120.4280	0.000	1	120.7408	0.901	21	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	120.6020	1.643	2	120.6020	2.700	2	120.7408	0.901	21	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	119.9970	0.692	5	119.9970	0.478	5	120.7408	0.901	21	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O){2|C<3>,2|N<3>}	120.8923	0.821	11	120.8923	0.674	11	120.7408	0.901	21	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	122.0625	0.094	2	122.0625	0.009	2	120.7408	0.901	21	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(O){2|H<1>,2|N<3>}	121.2425	1.305	70	121.2425	1.703	70	121.2425	1.703	70	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,3|N<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	117.1240	0.000	1	117.1240	0.000	1	117.1240	0.000	1	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)2(O){2|C<4>,2|H<1>}	121.2382	0.822	4	121.2382	0.676	4	121.2382	0.676	4	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,6]C[5])2(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])2(H)2	C[5](N[5]C[5,6]C)2(O){2|C<4>,2|H<1>}	120.3293	0.910	16	120.3293	0.827	16	120.3293	0.827	16	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)2(S){4|H<1>}	123.6940	0.000	1	123.6940	0.000	1	123.6940	0.000	1	120.9607	1.710	117	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:O-2:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OTb)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C(N[5]C[5,5]C[5])2(H)2	C[5](N[5]C[5,5]C)2(OTb){2|C<4>,2|N<3>}	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	122.2662	3.674	5	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5]){1|P<3>,2|H<1>,5|C<3>}	122.9912	1.181	4	122.9912	1.394	4	122.9912	1.394	4	122.2662	3.674	5	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)2(CHN)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,6]C)2(CHN){2|H<1>,2|N<3>}	127.3390	0.000	1	127.3390	0.000	1	127.3390	0.000	1	127.3390	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:Ga-4:	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO)	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(GaCCO){2|C<3>,4|H<1>}	123.2750	1.406	2	123.2750	1.976	2	123.2750	1.976	2	123.2750	1.976	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|O<2>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.2700	0.000	1	118.2700	0.000	1	118.2700	0.000	1	118.2700	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH){1|C<4>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[5](N[5]C[5]C)2(NP){4|H<1>}	127.4630	0.000	1	127.4630	0.000	1	127.4630	0.000	1	127.1760	0.165	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:3:4:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[5](N[5]C[5]C)2(NP)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[5](N[5]C[5]C)2(NP){4|H<1>}	126.8890	0.000	1	126.8890	0.000	1	126.8890	0.000	1	127.1760	0.165	2	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(O){2|C<3>,2|N<3>}	119.9275	1.242	2	119.9275	1.544	2	119.9275	1.544	2	117.6520	56.368	8	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	121.5200	0.000	1	122.2090	0.358	3	122.2090	0.358	3	117.6520	56.368	8	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O){1|N<2>,1|N<3>,2|H<1>}	122.5070	0.000	1	122.2090	0.358	3	122.2090	0.358	3	117.6520	56.368	8	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O)	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(N[5]C[5,6]C[5])(CH3)(H)2	C[5](N[5]C[5,6]C)2(O){2|H<1>,2|N<3>}	122.6000	0.000	1	122.2090	0.358	3	122.2090	0.358	3	117.6520	56.368	8	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<4>,2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	C[5](N[5]C[5]C)2(H){4|H<1>}	105.6765	0.122	2	105.6765	0.015	2	105.6765	0.015	2	117.6520	56.368	8	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:1:	N[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-1:	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	C[5](N[5]C[5,5]C[6a])(N[5]N[5,5]C)(S)	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(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	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>}	123.3810	0.000	1	123.3810	0.000	1	123.3810	0.000	1	117.6520	56.368	8	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5]H)(SCu){4|H<1>}	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-3:	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C(N[5]Ge[5]C[5])(CCCH)(H)2	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cd<4>,2|C<4>}	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:1:1:	3:3:4:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(C[5]S[5]H)(CH3)	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	C[5](N[5]C[5,5]C)(C[5]S[5]H)(CH3){1|C<3>,1|C<4>}	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:3:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(O){2|C<4>,2|O<2>}	119.2110	0.000	1	119.2110	0.000	1	119.2110	0.000	1	119.2110	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:N[5]-2:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5])(H)	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH){2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5])(H){1|C<4>,1|H<1>,2|C<3>}	124.9670	0.000	1	124.9670	0.000	1	124.9670	0.000	1	124.9670	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH){5|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(COO){1|H<1>,3|C<3>}	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:2:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:N-2:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NC)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(CH3)3	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	119.2500	0.000	1	119.2500	0.000	1	119.2500	0.000	1	120.8640	1.767	6	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5,5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	122.3660	0.000	1	122.3660	0.000	1	121.1868	1.427	5	120.8640	1.767	6	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<4>,1|H<1>,1|O<1>}	119.8930	0.000	1	121.2070	3.453	2	121.1868	1.427	5	120.8640	1.767	6	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|C<4>,2|H<1>}	122.5210	0.000	1	121.2070	3.453	2	121.1868	1.427	5	120.8640	1.767	6	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CH3)3	C[5](N[5]C[5]C)2(O){1|C<3>,1|H<1>,1|O<1>}	120.5770	0.345	2	120.5770	0.119	2	121.1868	1.427	5	120.8640	1.767	6	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]O)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|O<1>,2|H<1>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]O)(N[5]C[5]C)(CHN){4|H<1>}	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	3:4:4:4:	4:3:3:	C[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3)	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3){2|C<4>,2|H<1>,2|N<3>}	C(N[5]C[5]2)(CH3)3	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	116.7660	0.000	1	116.7660	0.000	1	116.7660	0.000	1	116.7660	0.000	1	121.1957	12.824	281	121.2022	12.824	298
542	490	818	0:SP3_SP2_SP3	N[5]	C	C[5]	4:3:4:	4:3:1:1:	3:2:1:	C[5]-4:C[5]-3:C-4:	C[3]-4:N[5]-3:H-1:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[5]2H)(C[5]O[5]O)(CC[3]HH)	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O)	N[5](C[5]C[5]2H)(C[5]O[5]O)(CC[3]HH){1|C<4>,1|O<2>,3|H<1>}	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,3|H<1>}	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	121.1957	12.824	281	121.2022	12.824	298