542	478	490	0:SP2_SP3_SP3	N[5]	C[4,5]	C	3:4:4:	4:3:3:1:	3:4:1:1:	C[5,6a]-3:C[4,5]-4:C-4:	C[4,5]-4:N[5]-3:C[4]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH)	C[4,5](C[4,5]C[5,6a]C[4]H)(N[5]C[5,6a]C)(C[4]C[4]C)(H)	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[4]H)(N[5]C[5,6a]C)(C[4]C[4]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1
542	478	490	0:SP3_SP3_SP3	N[5,5]	C[4,5,5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[4,5,5]-4:C[5,5]-4:C-4:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5]-3:C[6a]-3:H-1:H-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH)	C[4,5,5](C[4,5]C[4,5,5]BrH)2(N[5,5]C[5,5]C)(H)	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH){2|Br<1>,3|H<1>}	C[4,5,5](C[4,5]C[4,5,5]BrH)2(N[5,5]C[5,5]C)(H){3|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	116.1940	0.765	3
542	478	490	0:SP3_SP3_SP3	N[5]	C[4,5]	C	4:4:4:	4:4:3:3:	3:3:1:1:	C[4,5]-4:C[5]-4:C-4:	C[4]-4:C[4]-4:C[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH)	C[4,5](C[4]N[4]HH)2(C[5]C[5]C)(N[5]C[5]C)	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,6|H<1>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]C)(N[5]C[5]C){1|C<3>,4|H<1>}	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	116.6865	0.074	2	116.1940	0.765	3
542	478	490	0:SP3_SP3_SP3	N[5]	C[4,5]	C	4:4:4:	4:4:4:3:	3:3:1:1:	C[4,5]-4:C[5]-4:C-4:	C[3,5]-4:C[4]-4:C[4]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH)	C[4,5](C[3,5]C[3]2C[5])(C[4]O[4]HH)2(N[5]C[5]C)	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH){1|O<2>,2|C<4>,6|H<1>}	C[4,5](C[3,5]C[3]2C[5])(C[4]O[4]HH)2(N[5]C[5]C){2|F<1>,6|H<1>}	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	116.8790	0.000	1	116.8790	0.000	1	116.8790	0.000	1	116.8790	0.000	1	116.6865	0.074	2	116.1940	0.765	3
542	478	643	0:SP2_SP2_SP3	N[5]	C[4,5]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[4,5]-4:C[6a]-3:C[5]-3:	C[4,5]-4:N[5]-3:C[4]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[4,5](C[4,5]C[4]C[5]H)(N[5]C[6a]C[5])(C[4]C[4]CH)(H)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|H<1>,6|C<4>}	C[4,5](C[4,5]C[4]C[5]H)(N[5]C[6a]C[5])(C[4]C[4]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.7185	0.001	2	120.7185	0.000	2	120.7185	0.000	2	120.7185	0.000	2	120.4181	8.537	7	120.4181	8.537	7
542	478	643	0:SP2_SP2_SP3	N[5]	C[4,5]	C[6a]	4:3:3:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]C[6a])(H)	C[6a](N[5]C[5,6a]C[4,5])(C[6a]C[6a]H)2	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]C[6a])(H){4|C<3>,4|H<1>,5|B<6>}	C[6a](N[5]C[5,6a]C[4,5])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,3|C<3>,3|H<1>}	120.0135	1.778	2	120.0135	3.163	2	120.0135	3.163	2	120.0135	3.163	2	120.4181	8.537	7	120.4181	8.537	7
542	478	643	0:SP2_SP2_SP3	N[5]	C[4,5]	C[6a]	4:3:4:	3:4:3:3:	3:3:3:	C[4,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:B[4]-3:C[4]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[4,5]B[4]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2	N[5](C[4,5]B[4]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2{1|B<3>,2|C<3>,2|H<1>,4|C<4>}	125.1290	0.000	1	125.1290	0.000	1	125.1290	0.000	1	125.1290	0.000	1	120.4181	8.537	7	120.4181	8.537	7
542	478	643	0:SP2_SP2_SP3	N[5]	C[4,5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[4,5]-4:C[5]-4:C[6a]-3:	C[4,5]-4:N[5]-3:C[4]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[4,5](C[4,5]C[4]C[5]H)(N[5]C[6a]C[5])(C[4]C[4]C)(H)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[4,5](C[4,5]C[4]C[5]H)(N[5]C[6a]C[5])(C[4]C[4]C)(H){3|H<1>,4|C<3>}	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	120.4181	8.537	7	120.4181	8.537	7
542	478	643	0:SP2_SP2_SP3	N[5]	C[4,5]	C[6a]	4:4:3:	4:4:3:1:	3:3:3:	C[4,5]-4:C[5]-4:C[6a]-3:	C[4,5,6]-4:C[4,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5]C[4,5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5]C[4,5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	120.4181	8.537	7	120.4181	8.537	7
542	478	643	6:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[4,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[4,5]-4:C[4,6]-4:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[4,5,6](N[5,6]C[6,6a]C[5])(C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(H)	C[6,6a](N[5,6]C[4,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,5|C<4>}	C[4,5,6](N[5,6]C[6,6a]C[5])(C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](N[5,6]C[4,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	117.2470	0.034	2	117.2470	0.001	2	117.2470	0.001	2	117.2470	0.001	2	117.2470	0.001	2	117.2470	0.001	2
542	478	643	6:SP3_SP2_SP3	N[5,6]	C[4,5,6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[4,5,6,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[4,6]-4:N[4,5]-3:C[6,6]-4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H)	C[6,6a](N[5,6]C[4,5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[6,6a](N[5,6]C[4,5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1
542	478	727	5:SP2_SP2_SP3	N[5,6]	C[4,5,6,6]	C[5,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[4,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[4,5,6]-4:N[5,6]-3:C[4,6]-4:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[4,5,6,6](C[4,5,6]C[5,6a]C[4]C[6])(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	C[4,5,6,6](C[4,5,6]C[5,6a]C[4]C[6])(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[5,6a]	4:3:3:	4:3:2:4:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,6]-4:N[5,6]-3:O[5]-2:C[4]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[4]C[4]HH)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,4|C<3>,4|H<1>}	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[4]C[4]HH){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	106.2470	0.000	1	106.2470	0.000	1	106.2470	0.000	1	109.6460	23.106	2	109.5563	13.252	4	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[5,6a]	4:3:3:	4:3:2:4:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,6]-4:N[5,6]-3:S[5]-2:C[4]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,6]C[4]S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[4]C[4]CH)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6]C[4]S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,3|H<1>,5|C<3>}	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[4]C[4]CH){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	109.6460	23.106	2	109.5563	13.252	4	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[5,6a]	4:3:4:	3:4:3:4:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[4,6a]-3:C[4,6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	106.5840	0.000	1	109.4665	16.618	2	109.4665	16.618	2	109.4665	16.618	2	109.5563	13.252	4	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[5,6a]	4:3:4:	3:4:3:4:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[4,6a]-3:C[4,6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,4|C<4>,6|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	112.3490	0.000	1	109.4665	16.618	2	109.4665	16.618	2	109.4665	16.618	2	109.5563	13.252	4	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5,5]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[4,5,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:N[5]-3:C[5]-4:C[4]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[4,5,5](C[4,5,5]C[5,6a]C[4]C[5])(N[5]C[5,6a]C)(C[5]C[5]HH)(C[4]C[4]C)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H)	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[5,6a]C[4]C[5])(N[5]C[5,6a]C)(C[5]C[5]HH)(C[4]C[4]C){2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5,6]	C[5,6a]	4:3:3:	4:3:2:2:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C-3:	C[4,5,6]-4:N[5]-3:O[4]-2:O[6]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[4,5,6](C[4,5,6]C[5,6a]C[4,5]O[6])(N[5]C[5,6a]C)(O[4]C[4,5])(O[6]C[3,6])	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H)	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[4,5,6](C[4,5,6]C[5,6a]C[4,5]O[6])(N[5]C[5,6a]C)(O[4]C[4,5])(O[6]C[3,6]){3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C-3:	C[4,5]-4:N[5]-3:O[4]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(H){4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	108.3857	0.183	3	108.3857	0.034	3	108.3857	0.034	3	108.3857	0.034	3	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	3:4:3:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[4,5]-4:C-3:	C[4,5]-4:N[5]-3:O[4]-2:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(OC[5])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(OC[5]){4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	3:4:3:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[4,5]-4:C-3:	C[4,5]-4:N[5]-3:O[4]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO)	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]C)(O[4]C[4])(CH3)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]C)(O[4]C[4])(CH3){4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C-4:	C[4,5]-4:N[5]-3:C[4]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH)	C[4,5](C[4,5]C[5,6a]C[4]H)(N[5]C[5,6a]C)(C[4]C[4]C)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[4]H)(N[5]C[5,6a]C)(C[4]C[4]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<4>,2|C<3>,4|H<1>}	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:S-4:	C[4,5]-4:N[5]-3:C[4]-4:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]S)(C[4]C[4]HH)(F)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]S)(C[4]C[4]HH)(F){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	110.2610	0.000	1	110.2610	0.000	1	110.5400	0.156	2	110.5400	0.156	2	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:S-4:	C[4,5]-4:N[5]-3:C[4]-4:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[4,5](C[4,5]C[5,6a]C[6a]C[4])(N[5]C[5,6a]S)(C[4]C[4]HH)(F)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[5,6a]C[6a]C[4])(N[5]C[5,6a]S)(C[4]C[4]HH)(F){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	110.8190	0.000	1	110.8190	0.000	1	110.5400	0.156	2	110.5400	0.156	2	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:C[4]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO){2|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,3|C<4>,3|H<1>}	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:C[4]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO)	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO){2|C<4>,3|H<1>,4|C<3>}	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){2|C<3>,2|H<1>,3|C<4>}	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	4:3:3:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]C[6a])(H){4|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H){2|C<6>,3|C<3>,4|H<1>}	110.0435	0.472	2	110.0435	0.222	2	110.0435	0.222	2	110.0435	0.222	2	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	4:3:4:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]C)(N[5]C[5,6a]Si)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]C)(N[5]C[5,6a]Si)(H){2|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<6>,3|H<1>}	108.0230	0.000	1	108.0230	0.000	1	107.9660	0.068	3	107.9660	0.068	3	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	4:3:4:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(H){2|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C){1|C<3>,2|C<6>,4|H<1>}	107.6820	0.000	1	107.6820	0.000	1	107.9660	0.068	3	107.9660	0.068	3	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	4:3:4:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(H){2|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,2|C<6>,4|H<1>}	108.1930	0.000	1	108.1930	0.000	1	107.9660	0.068	3	107.9660	0.068	3	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5,6a]	4:3:4:	6:4:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|H<1>,4|B<6>,4|C<3>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(C[6a]C[6a]2){4|C<3>,5|B<6>,6|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){2|C<3>,2|C<6>,3|H<1>}	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	109.3881	1.169	16	109.4706	2.641	23
542	478	727	5:SP3_SP2_SP3	N[5,6]	C[4,5,6]	C[5,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,5]-4:N[5,6]-3:C[4,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[4,5,6](C[4,5]C[5,6a]C[4]H)(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[4,5,6](C[4,5]C[5,6a]C[4]H)(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.6315	0.224	4	109.9967	0.503	7
542	478	727	5:SP3_SP2_SP3	N[5,6]	C[4,5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,5]-4:N[5,6]-3:C[4,6]-4:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,5]C[4,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[4,5,6](C[4,5]C[5,6a]N[4]C)(N[5,6]C[5,6a]C[6])(C[4,6]C[6]N[4]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,5]C[4,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[4,5,6](C[4,5]C[5,6a]N[4]C)(N[5,6]C[5,6a]C[6])(C[4,6]C[6]N[4]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	109.6315	0.224	4	109.9967	0.503	7
542	478	727	5:SP3_SP2_SP3	N[5,6]	C[4,5,6]	C[5,6a]	4:3:4:	3:4:3:4:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[4,6a]-3:C[4,6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	109.3775	0.636	2	109.3775	0.404	2	109.3775	0.404	2	109.3775	0.404	2	109.6315	0.224	4	109.9967	0.503	7
542	478	727	5:SP3_SP2_SP3	N[5]	C[4,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[4,5]-4:H-1:	C[4,5]-4:C[4]-4:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[4,5](C[4,5]C[5,6a]C[3,4]C[6a])(C[4]C[3,4]CH)(N[5]C[5,6a]H)(COO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[3,4]C[6a])(C[4]C[3,4]CH)(N[5]C[5,6a]H)(COO){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<4>,2|H<1>,3|C<3>}	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	110.4837	0.551	3	109.9967	0.503	7
542	478	727	5:SP3_SP2_SP3	N[5]	C[4,5]	C[5,6a]	3:4:1:	4:4:3:4:	3:3:3:	C[5,6a]-3:C[4,5]-4:H-1:	C[4,5]-4:C[4]-4:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[4,5](C[4,5]C[5,6a]C[3,4]C[6a])(C[4]C[3,4]CH)(N[5]C[5,6a]H)(CHHO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[3,4]C[6a])(C[4]C[3,4]CH)(N[5]C[5,6a]H)(CHHO){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<3>,2|H<1>,3|C<4>}	110.1115	0.521	2	110.1115	0.272	2	110.1115	0.272	2	110.1115	0.272	2	110.4837	0.551	3	109.9967	0.503	7
542	478	762	6:SP2_SP2_SP3	N[5,6]	C[4,5,6,6]	C[6]	4:3:3:	4:3:4:4:	3:4:1:	C[4,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[4,5,6]-4:N[5,6]-3:C[4,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[4,5,6,6](C[4,5,6]C[5,6a]C[4]C[6])(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[4,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	C[4,5,6,6](C[4,5,6]C[5,6a]C[4]C[6])(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](N[5,6]C[4,5,6,6]C[5,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	121.9249	1.902	7
542	478	762	6:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[6]	4:3:3:	4:3:2:4:	3:3:1:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,6]-4:N[5,6]-3:O[5]-2:C[4]-4:	N[5,6]-3:C[6,6a]-3:O-1:	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[4]C[4]HH)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,4|C<3>,4|H<1>}	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[4]C[4]HH){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	124.4970	0.000	1	124.4970	0.000	1	124.4970	0.000	1	123.2650	3.036	2	121.9402	2.281	6	121.9249	1.902	7
542	478	762	6:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[6]	4:3:3:	4:3:2:4:	3:3:1:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,6]-4:N[5,6]-3:S[5]-2:C[4]-4:	N[5,6]-3:C[6,6a]-3:O-1:	N[5,6](C[4,5,6]C[4,6]C[4]S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[4]C[4]CH)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6](C[4,5,6]C[4,6]C[4]S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,3|H<1>,5|C<3>}	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[4]C[4]CH){1|H<1>,1|O<1>,5|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	122.0330	0.000	1	122.0330	0.000	1	122.0330	0.000	1	123.2650	3.036	2	121.9402	2.281	6	121.9249	1.902	7
542	478	762	6:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[6]	4:3:4:	4:3:3:2:	3:3:3:	C[4,5,6]-4:C[6]-3:C[5]-4:	C[4,6]-4:N[5,6]-3:C[4]-3:O[5]-2:	N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[4,5,6](C[4,6]C[4]C[6]C)(N[5,6]C[5]C[6])(C[4]C[4]C)(O[5]C[5])	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[4,5,6](C[4,6]C[4]C[6]C)(N[5,6]C[5]C[6])(C[4]C[4]C)(O[5]C[5]){3|C<3>,6|H<1>}	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	121.7807	0.183	3	121.7807	0.034	3	121.7807	0.034	3	121.7807	0.034	3	121.9402	2.281	6	121.9249	1.902	7
542	478	762	6:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[6]	4:4:3:	3:3:4:3:	3:4:3:	C[4,5,6]-4:S[5]-4:C[6]-3:	C[4,6a]-3:C[5,6a]-3:C[4,6]-4:N[5,6]-3:	N[5,6]-3:C[6]-4:C-3:	N[5,6](C[4,5,6]C[4,6a]C[5,6a]C[4,6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[6]S[5])	C[6](N[5,6]C[4,5,6]S[5])(C[6]C[6]HH)(CCC)	N[5,6](C[4,5,6]C[4,6a]C[5,6a]C[4,6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[6]S[5]){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[4,5,6]S[5])(C[6]C[6]HH)(CCC){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	121.9402	2.281	6	121.9249	1.902	7
542	478	762	6:SP3_SP2_SP3	N[5,6]	C[4,5,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,5]-4:N[5,6]-3:C[4,6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[4,5,6](C[4,5]C[5,6a]C[4]H)(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[4,5,6](C[4,5]C[5,6a]C[4]H)(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	120.7170	0.000	1	120.7170	0.000	1	120.7170	0.000	1	120.7170	0.000	1	120.4365	0.157	2	120.4365	0.157	2
542	478	762	6:SP3_SP2_SP3	N[5,6]	C[4,5,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,5]-4:N[5,6]-3:C[4,6]-4:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[4,5,6]C[4,5]C[4,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[4,5,6](C[4,5]C[5,6a]N[4]C)(N[5,6]C[5,6a]C[6])(C[4,6]C[6]N[4]H)(C[6a]C[6a]2)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[4,5,6]C[4,5]C[4,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[4,5,6](C[4,5]C[5,6a]N[4]C)(N[5,6]C[5,6a]C[6])(C[4,6]C[6]N[4]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	120.4365	0.157	2	120.4365	0.157	2
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[4]-4:	C[4]-4:C[4]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[4]C[4]2H)	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[4]C[4]2H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.4365	0.623	2	124.3415	1.341	4	124.3415	1.341	4	124.3415	1.341	4	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[4]-4:	C[4]-4:C[4]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[4]C[4]2H)	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[4]C[4]2H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.2465	1.897	2	124.3415	1.341	4	124.3415	1.341	4	124.3415	1.341	4	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[4]-4:	C[4]-4:C[4]-4:N[5]-3:H-1:	C[5,6]-3:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(C[4]C[4]2H)	C[4](C[4]C[4]HH)2(N[5]C[5]2)(H)	C[5](C[5,6]C[5,6]S[6])(N[5]C[4]C[5])(O)	N[5](C[5]C[5,6]O)2(C[4]C[4]2H){1|C<4>,2|S<2>,4|H<1>}	C[4](C[4]C[4]HH)2(N[5]C[5]2)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]S[6])(N[5]C[4]C[5])(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	124.6292	1.764	6	124.6292	3.112	6	124.6292	3.112	6	124.6292	3.112	6	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[5]-3:C[5]-3:	C[4,6]-4:C[4]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[4]C[4,6]C[4]H)(C[5]C[5,6a]O)2	C[4](C[4,6]N[4,6]C[6]H)(C[4]N[4,6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	N[5](C[4]C[4,6]C[4]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[4](C[4,6]N[4,6]C[6]H)(C[4]N[4,6]O)(N[5]C[5]2)(H){1|C<4>,1|O<2>,2|C<3>,3|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.1038	0.923	6	124.1038	0.851	6	124.1038	0.851	6	124.4423	2.686	10	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[4]C[4]2H)(C[5]C[5]O)2	C[4](C[4]C[6a]N[4]C)(C[4]N[4]O)(N[5]C[5]2)(H)	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O)	N[5](C[4]C[4]2H)(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[4](C[4]C[6a]N[4]C)(C[4]N[4]O)(N[5]C[5]2)(H){2|O<1>,5|C<3>}	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	124.9880	3.446	2	124.9880	11.878	2	124.9500	6.066	4	124.4423	2.686	10	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:3:3:1:	3:3:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[4]C[4]2H)(C[5]C[5]O)2	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[5]C[5]2)(H)	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O)	N[5](C[4]C[4]2H)(C[5]C[5]O)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[5]C[5]2)(H){2|O<1>,5|C<3>}	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	124.9120	2.513	2	124.9120	6.315	2	124.9500	6.066	4	124.4423	2.686	10	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:3:3:1:	3:4:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[4]C[4]2H)(C[5]C[5]O)2	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[5]C[5]2)(H)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(O)	N[5](C[4]C[4]2H)(C[5]C[5]O)2{1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[5]C[5]2)(H){2|C<4>,2|O<1>,3|C<3>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	122.7860	3.060	2	122.7860	9.366	2	122.7860	9.366	2	122.7860	9.366	2	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[4]C[4]2H)(C[5]C[5]H)(C[5]N[5]H)	C[4](C[4]C[4]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H)	N[5](C[4]C[4]2H)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|C<4>,5|H<1>}	C[4](C[4]C[4]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	125.8510	0.000	1	125.8510	0.000	1	125.8510	0.000	1	125.8220	0.002	2	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[4]C[4]2H)(C[5]C[5]H)(C[5]N[5]H)	C[4](C[4]C[4]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[4]C[5])(H)	N[5](C[4]C[4]2H)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|C<4>,5|H<1>}	C[4](C[4]C[4]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[4]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	125.7930	0.000	1	125.7930	0.000	1	125.7930	0.000	1	125.8220	0.002	2	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:4:3:3:	3:3:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:O-1:	N[5](C[4]C[4]2C)(C[5]C[5]O)(C[5]N[5]O)	C[4](C[4]C[4]HH)2(N[5]C[5]2)(CNO)	C[5](N[5]C[4]C[5])(N[5]C[5]C)(O)	N[5](C[4]C[4]2C)(C[5]C[5]O)(C[5]N[5]O){3|C<4>,5|H<1>}	C[4](C[4]C[4]HH)2(N[5]C[5]2)(CNO){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	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>}	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:4:3:3:	3:4:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-4:N[5]-3:C-3:	N[5]-3:C[5]-4:O-1:	N[5](C[4]C[4]2C)(C[5]C[5]O)(C[5]N[5]O)	C[4](C[4]C[4]HH)2(N[5]C[5]2)(CNO)	C[5](N[5]C[4]C[5])(C[5]N[5]CH)(O)	N[5](C[4]C[4]2C)(C[5]C[5]O)(C[5]N[5]O){3|C<4>,5|H<1>}	C[4](C[4]C[4]HH)2(N[5]C[5]2)(CNO){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5](N[5]C[4]C[5])(C[5]N[5]CH)(O){1|C<3>,1|O<1>,3|C<4>}	124.0930	0.000	1	124.0930	0.000	1	124.0930	0.000	1	124.0930	0.000	1	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:4:3:4:	3:3:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-4:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	N[5](C[4]C[4]2C)(C[5]C[5]H)(C[5]N[5]H)	C[4](C[4]C[4]HH)2(N[5]C[5]2)(COPP)	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H)	N[5](C[4]C[4]2C)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,6|H<1>}	C[4](C[4]C[4]HH)2(N[5]C[5]2)(COPP){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	125.3750	0.000	1	125.3750	0.000	1	125.3750	0.000	1	125.4945	0.029	2	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:3:	4:4:3:4:	3:3:1:	C[4]-4:C[5]-3:C[5]-3:	C[4]-4:C[4]-4:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:	N[5](C[4]C[4]2C)(C[5]C[5]H)(C[5]N[5]H)	C[4](C[4]C[4]HH)2(N[5]C[5]2)(COPP)	C[5](N[5]C[4]C[5])(N[5]C[5]H)(H)	N[5](C[4]C[4]2C)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,6|H<1>}	C[4](C[4]C[4]HH)2(N[5]C[5]2)(COPP){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[4]C[5])(N[5]C[5]H)(H){2|H<1>,3|C<4>}	125.6140	0.000	1	125.6140	0.000	1	125.6140	0.000	1	125.4945	0.029	2	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:3:4:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[4]-4:	C[4]-4:C[4]-3:N[5]-3: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)(C[4]C[4]2H)	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.1480	0.000	1	124.1480	0.000	1	124.1480	0.000	1	124.1480	0.000	1	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:4:3:	4:3:3:1:	3:2:1:	C[4]-4:C[5]-4:C[5]-3:	C[4]-4:C[4]-3:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]O[5]O)	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[5]C[5]2)(H)	C[5](N[5]C[4]C[5])(O[5]C[5])(O)	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5]C[4]C[5])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:4:3:	4:3:3:4:	3:2:1:	C[5]-4:C[4]-4:C[5]-3:	C[4]-4:C[4]-3:N[5]-3:C-4:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O)	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(CC[6a]HH)	C[5](N[5]C[4]C[5])(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](N[5]C[4]C[5])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	122.4890	0.000	1	123.7695	3.279	2	123.7695	3.279	2	123.7695	3.279	2	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:4:3:	4:3:3:4:	3:2:1:	C[5]-4:C[4]-4:C[5]-3:	C[4]-4:C[4]-3:N[5]-3:C-4:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O)	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(CC[6a]HH)	C[5](N[5]C[4]C[5])(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](N[5]C[4]C[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	125.0500	0.000	1	123.7695	3.279	2	123.7695	3.279	2	123.7695	3.279	2	124.3608	2.271	33	124.3608	2.271	33
542	478	818	0:SP2_SP2_SP3	N[5]	C[4]	C[5]	4:4:3:	4:4:3:1:	3:4:1:	C[4]-4:C[5]-4:C[5]-3:	C[4]-4:C[4]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[4](C[4]C[4]CH)(C[4]C[4]HH)(N[5]C[5]2)(H)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(O)	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]C[5]O){2|C<4>,7|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(N[5]C[5]2)(H){1|H<1>,1|O<1>,5|C<4>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	123.2180	0.000	1	123.2180	0.000	1	123.2180	0.000	1	123.2180	0.000	1	124.3608	2.271	33	124.3608	2.271	33
542	478	818	5:SP2_SP2_SP3	N[5,6]	C[4,5,5,6]	C[5]	4:3:4:	4:3:3:4:	3:3:1:	C[4,5,5,6]-4:C[5]-3:C[6]-4:	C[4,5,5,6]-4:N[5,6]-3:N[5,6]-3:C[4]-4:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH)	C[4,5,5,6](C[4,5,5,6]N[5,6]2C[4])(N[5,6]C[5]C[6])2(C[4]C[4]HH)	C[5](N[5,6]C[4,5,5,6]C[6])2(O)	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[4,5,5,6](C[4,5,5,6]N[5,6]2C[4])(N[5,6]C[5]C[6])2(C[4]C[4]HH){1|O<2>,2|C<4>,2|O<1>,6|H<1>}	C[5](N[5,6]C[4,5,5,6]C[6])2(O){2|C<4>,2|N<3>,2|O<2>,4|H<1>}	109.2608	0.108	4	109.2608	0.012	4	109.2608	0.012	4	109.2608	0.012	4	109.2608	0.012	4	113.1539	6.019	17
542	478	818	5:SP2_SP2_SP3	N[5,6]	C[4,5,6]	C[5]	4:3:3:	3:4:4:1:	3:4:1:	C[4,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[4,5]-4:C[4,6]-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[4,5,6](N[5,6]C[6,6a]C[5])(C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(H)	C[5](N[5,6]C[4,5,6]C[6,6a])(C[5]C[4,5]CC)(O)	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,5|C<4>}	C[4,5,6](N[5,6]C[6,6a]C[5])(C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[4,5,6]C[6,6a])(C[5]C[4,5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	113.7825	0.009	2	113.7825	0.000	2	113.7825	0.000	2	113.7825	0.000	2	113.7825	0.000	2	113.1539	6.019	17
542	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:1:	4:3:3:4:	4:3:1:	C[4,5]-4:C[5]-3:H-1:	C[4,5]-4:C[4]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H)	C[4,5](C[4,5]C[5]O[4]H)(C[4]O[4]O)(N[5]C[5]H)(CCHH)	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O)	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[5]O[4]H)(C[4]O[4]O)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.8705	0.523	2	114.8705	0.273	2	114.8563	0.137	3	114.8563	0.137	3	114.4553	1.622	11	113.1539	6.019	17
542	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:1:	4:3:3:4:	4:3:1:	C[4,5]-4:C[5]-3:H-1:	C[4,5]-4:C[4]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:O-1:	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H)	C[4,5](C[4,5]C[5]O[4]H)(C[4]O[4]O)(N[5]C[5]H)(CCHO)	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O)	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[5]O[4]H)(C[4]O[4]O)(N[5]C[5]H)(CCHO){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.8280	0.000	1	114.8280	0.000	1	114.8563	0.137	3	114.8563	0.137	3	114.4553	1.622	11	113.1539	6.019	17
542	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:1:	4:4:3:1:	3:3:1:	C[4,5]-4:C[5]-3:H-1:	C[4,5]-4:C[4]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(H)	C[4,5](C[4,5]C[4]N[5]H)(C[4]C[4]CH)(N[5]C[5]H)(H)	C[5](N[5]C[4,5]H)2(O)	N[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]N[5]H)(C[4]C[4]CH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[5](N[5]C[4,5]H)2(O){2|C<4>,2|H<1>}	112.5755	0.756	2	112.5755	0.571	2	112.5755	0.571	2	112.5755	0.571	2	114.4553	1.622	11	113.1539	6.019	17
542	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:1:	4:4:3:1:	4:3:1:	C[4,5]-4:C[5]-3:H-1:	C[4,5,5]-4:C[4]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]O)(H)	C[4,5](C[4,5,5]C[5,5]C[4]O[5])(C[4]C[4]HH)(N[5]C[5]H)(H)	C[5](C[5,5]C[4,5,5]C[5,6a]H)(N[5]C[4,5]H)(O)	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4,5,5]C[5,5]C[4]O[5])(C[4]C[4]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[4,5,5]C[5,6a]H)(N[5]C[4,5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.4553	1.622	11	113.1539	6.019	17
542	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:1:	4:4:3:3:	3:3:1:	C[4,5]-4:C[5]-3:H-1:	C[4]-4:C[4]-4:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:O-1:	N[5](C[4,5]C[4]2C[5])(C[5]N[5]O)(H)	C[4,5](C[4]C[5a]C[4]H)2(C[5]N[5]N)(N[5]C[5]H)	C[5](N[5]C[4,5]H)(N[5]C[5]H)(O)	N[5](C[4,5]C[4]2C[5])(C[5]N[5]O)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[4,5](C[4]C[5a]C[4]H)2(C[5]N[5]N)(N[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[4,5]H)(N[5]C[5]H)(O){1|N<2>,2|C<4>}	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	114.4553	1.622	11	113.1539	6.019	17
542	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:3:	4:3:4:1:	3:4:1:	C[4,5]-4:C[6a]-3:C[5]-3:	C[4,5]-4:N[5]-3:C[4]-4:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[4,5](C[4,5]C[4]C[5]H)(N[5]C[6a]C[5])(C[4]C[4]CH)(H)	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]CC)(O)	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|H<1>,6|C<4>}	C[4,5](C[4,5]C[4]C[5]H)(N[5]C[6a]C[5])(C[4]C[4]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	114.4510	0.038	2	114.4510	0.001	2	114.4510	0.001	2	114.4510	0.001	2	114.4553	1.622	11	113.1539	6.019	17
542	478	818	5:SP2_SP2_SP3	N[5]	C[4,5]	C[5]	4:3:3:	4:4:3:4:	3:3:1:	C[4,5]-4:C[5]-3:N-3:	C[4,5]-4:C[4]-4:N[5]-3:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO)	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[4]HH)(N[5]C[5]N)(CH3)	C[5](N[5]C[4,5]N)2(O)	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO){1|N<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[4]HH)(N[5]C[5]N)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[5](N[5]C[4,5]N)2(O){4|C<4>}	116.1520	0.160	2	116.1520	0.026	2	116.1520	0.026	2	116.1520	0.026	2	114.4553	1.622	11	113.1539	6.019	17
542	478	818	5:SP3_SP2_SP3	N[5,6]	C[4,5,6,6]	C[5]	4:3:3:	3:4:3:4:	3:3:1:	C[4,5,6,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[4,6]-4:N[4,5]-3:C[6,6]-4:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H)	C[5](N[5,6]C[4,5,6,6]C[6,6a])(C[5]N[4,5]O)(O)	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]C[4,5,6,6]C[6,6a])(C[5]N[4,5]O)(O){2|C<3>,3|C<4>}	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	110.9770	0.000	1	110.4840	0.486	2
542	478	818	5:SP3_SP2_SP3	N[5,6]	C[4,5,6]	C[5]	4:4:3:	4:4:3:3:	3:3:1:	C[4,5,6]-4:C[6]-4:C[5]-3:	C[4,5]-4:C[4,6]-4:N[5,6]-3:C-3:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(N[5,6]C[5]C[6])(CNO)	C[5](N[5,6]C[4,5,6]C[6])(C[5]C[4,5]C)(H)	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(N[5,6]C[5]C[6])(CNO){1|C<3>,1|C<4>,7|H<1>}	C[5](N[5,6]C[4,5,6]C[6])(C[5]C[4,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	110.4840	0.486	2
542	478	880	0:SP2_SP3_SP3	N[5]	C[4,5]	Si	4:3:4:	6:4:3:1:	3:4:4:4:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]C)(N[5]C[5,6a]Si)(H)	Si(N[5]C[5,6a]C[4,5])(CH3)3	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]C)(N[5]C[5,6a]Si)(H){2|C<3>,4|H<1>,5|B<6>}	Si(N[5]C[5,6a]C[4,5])(CH3)3	124.3600	0.000	1	124.3600	0.000	1	121.8837	12.408	3	121.8837	12.408	3	123.0577	13.786	4	123.0577	13.786	4
542	478	880	0:SP2_SP3_SP3	N[5]	C[4,5]	Si	4:3:4:	6:4:3:1:	3:4:4:4:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(H)	Si(N[5]C[5,6a]C[4,5])(CH3)3	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(H){2|C<3>,4|H<1>,5|B<6>}	Si(N[5]C[5,6a]C[4,5])(CH3)3	117.8510	0.000	1	120.6455	15.618	2	121.8837	12.408	3	121.8837	12.408	3	123.0577	13.786	4	123.0577	13.786	4
542	478	880	0:SP2_SP3_SP3	N[5]	C[4,5]	Si	4:3:4:	6:4:3:1:	3:4:4:4:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(H)	Si(N[5]C[5,6a]C[4,5])(CH3)3	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(H){2|C<3>,4|H<1>,5|B<6>}	Si(N[5]C[5,6a]C[4,5])(CH3)3	123.4400	0.000	1	120.6455	15.618	2	121.8837	12.408	3	121.8837	12.408	3	123.0577	13.786	4	123.0577	13.786	4
542	478	880	0:SP2_SP3_SP3	N[5]	C[4,5]	Si	4:3:4:	6:4:3:3:	3:4:4:4:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:N[5]-3:C[6a]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(C[6a]C[6a]2)	Si(N[5]C[5,6a]C[4,5])(CH3)3	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|H<1>,4|B<6>,4|C<3>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[5,6a]H)(N[5]C[5,6a]Si)(C[6a]C[6a]2){4|C<3>,5|B<6>,6|H<1>}	Si(N[5]C[5,6a]C[4,5])(CH3)3	126.5800	0.000	1	126.5800	0.000	1	126.5800	0.000	1	126.5800	0.000	1	123.0577	13.786	4	123.0577	13.786	4
542	478	930	0:SP2_SP2_SP3	N[5,5]	C[4,5,5]	C	4:4:3:	4:4:3:1:	3:2:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5]-3:O-2:O-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H){3|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	127.5420	4.770	2	127.5420	22.754	2	127.6910	8.516	4	127.6910	8.516	4	126.7442	4.603	9	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5,5]	C[4,5,5]	C	4:4:3:	4:4:3:1:	3:2:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5]-3:O-2:O-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(N[5,5]C[5,5]C)(H)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(N[5,5]C[5,5]C)(H){3|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	127.8400	1.645	2	127.8400	2.705	2	127.6910	8.516	4	127.6910	8.516	4	126.7442	4.603	9	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5,5]	C[4,5,5]	C	4:4:3:	4:4:3:1:	3:4:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5]-3:C[4,5]-4:O-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[4,5]O)	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H)	C(N[5,5]C[4,5,5]C[5,5])(C[4,5]C[4,5,5]2H)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[4,5]O){1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H){3|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(C[4,5]C[4,5,5]2H)(O)	125.2540	0.563	3	125.2540	0.317	3	125.2540	0.317	3	125.2540	0.317	3	126.7442	4.603	9	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5,5]	C[4,5,5]	C	4:4:3:	4:4:3:3:	3:4:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5]-4:C[4,5]-4:N[5,5]-3:C-3:	N[5,5]-3:C-4:O-1:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO)	C(N[5,5]C[4,5,5]C[5,5])(CH3)(O)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){1|F<1>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO){1|F<1>,2|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(CH3)(O)	126.8000	0.000	1	127.0860	0.164	2	127.0860	0.164	2	127.0860	0.164	2	126.7442	4.603	9	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5,5]	C[4,5,5]	C	4:4:3:	4:4:3:3:	3:4:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5]-4:C[4,5]-4:N[5,5]-3:C-3:	N[5,5]-3:C-4:O-1:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO)	C(N[5,5]C[4,5,5]C[5,5])(CH3)(O)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO){3|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(CH3)(O)	127.3720	0.000	1	127.0860	0.164	2	127.0860	0.164	2	127.0860	0.164	2	126.7442	4.603	9	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5,5]	C	4:3:3:	4:3:4:3:	3:2:1:	C[4,5,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:N[5]-3:C[5]-4:C[4]-3:	N[5]-3:O-2:O-1:	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[4,5,5](C[4,5,5]C[5,6a]C[4]C[5])(N[5]C[5,6a]C)(C[5]C[5]HH)(C[4]C[4]C)	C(N[5]C[4,5,5]C[5,6a])(OC)(O)	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[5,6a]C[4]C[5])(N[5]C[5,6a]C)(C[5]C[5]HH)(C[4]C[4]C){2|C<3>,6|H<1>}	C(N[5]C[4,5,5]C[5,6a])(OC)(O)	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5,6]	C	4:3:3:	4:3:2:2:	3:4:1:	C[4,5,6]-4:C[5,6a]-3:C-3:	C[4,5,6]-4:N[5]-3:O[4]-2:O[6]-2:	N[5]-3:C-4:O-1:	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[4,5,6](C[4,5,6]C[5,6a]C[4,5]O[6])(N[5]C[5,6a]C)(O[4]C[4,5])(O[6]C[3,6])	C(N[5]C[4,5,6]C[5,6a])(CH3)(O)	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[4,5,6](C[4,5,6]C[5,6a]C[4,5]O[6])(N[5]C[5,6a]C)(O[4]C[4,5])(O[6]C[3,6]){3|C<4>,4|C<3>}	C(N[5]C[4,5,6]C[5,6a])(CH3)(O)	124.8020	0.000	1	124.8020	0.000	1	124.8020	0.000	1	124.8020	0.000	1	124.8020	0.000	1	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	3:4:3:	4:3:2:1:	3:4:1:	C[5,6a]-3:C[4,5]-4:C-3:	C[4,5]-4:N[5]-3:O[4]-2:H-1:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(H)	C(N[5]C[5,6a]C[4,5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(H){4|C<3>}	C(N[5]C[5,6a]C[4,5])(CH3)(O)	124.1950	0.600	3	124.1950	0.360	3	124.1950	0.360	3	124.1950	0.360	3	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	3:4:3:	4:3:2:2:	3:4:1:	C[5,6a]-3:C[4,5]-4:C-3:	C[4,5]-4:N[5]-3:O[4]-2:O-2:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(OC[5])	C(N[5]C[5,6a]C[4,5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(OC[5]){4|C<3>}	C(N[5]C[5,6a]C[4,5])(CH3)(O)	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	3:4:3:	4:3:2:4:	3:2:1:	C[5,6a]-3:C[4,5]-4:C-3:	C[4,5]-4:N[5]-3:O[4]-2:C-4:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO)	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]C)(O[4]C[4])(CH3)	C(N[5]C[5,6a]C[4,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]C)(O[4]C[4])(CH3){4|C<3>}	C(N[5]C[5,6a]C[4,5])(OC)(O)	126.9710	0.000	1	126.9710	0.000	1	126.9710	0.000	1	126.9710	0.000	1	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	4:3:3:	4:4:3:1:	3:4:1:	C[4,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:C[4]-4:N[5]-3:H-1:	N[5]-3:C-4:O-1:	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[4,5])(CH3)(O)	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO){2|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[4,5])(CH3)(O)	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	4:3:3:	4:4:3:3:	3:4:1:	C[4,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:C[4]-4:N[5]-3:C[6a]-3:	N[5]-3:C-4:O-1:	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO)	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C(N[5]C[5,6a]C[4,5])(CF3)(O)	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO){2|C<4>,3|H<1>,4|C<3>}	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C(N[5]C[5,6a]C[4,5])(CF3)(O)	127.7440	0.000	1	127.7440	0.000	1	127.7440	0.000	1	127.7440	0.000	1	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	4:4:3:	3:4:3:2:	3:2:1:	C[4,5]-4:C[5]-4:C-3:	C[6a]-3:C[4,5]-4:N[5]-3:O[4]-2:	N[5]-3:O-2:O-1:	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4])	C(N[5]C[4,5]C[5])(OC)(O)	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4]){2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[4,5]C[5])(OC)(O)	125.2460	0.000	1	125.2460	0.000	1	125.2460	0.000	1	125.2460	0.000	1	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	4:4:3:	4:3:3:2:	3:2:1:	C[4,5]-4:C[5]-4:C-3:	C[4,5]-4:C[6a]-3:N[5]-3:O[4]-2:	N[5]-3:O-2:O-1:	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4])	C(N[5]C[4,5]C[5])(OC)(O)	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4]){2|C<3>,3|C<4>,3|H<1>}	C(N[5]C[4,5]C[5])(OC)(O)	124.5710	0.000	1	124.5710	0.000	1	124.5710	0.000	1	124.5710	0.000	1	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	4:4:3:	4:3:4:3:	3:4:1:	C[4,5]-4:C[5]-4:C-3:	C[4,5]-4:C[6a]-3:C[4]-4:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(CCO)	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]C)	C(N[5]C[4,5]C[5])(CF3)(O)	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]C){1|O<2>,2|C<3>,7|H<1>}	C(N[5]C[4,5]C[5])(CF3)(O)	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP2_SP2_SP3	N[5]	C[4,5]	C	4:4:3:	4:4:3:3:	3:3:1:	C[4,5]-4:C[5]-4:C-3:	C[4]-4:C[5]-4:C[4]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]O)	C[4,5](C[4]C[6a]N[4]H)(C[5]C[5]HH)(C[4]N[4]O)(N[5]C[5]C)	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[4,5](C[4]C[6a]N[4]H)(C[5]C[5]HH)(C[4]N[4]O)(N[5]C[5]C){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	121.2930	0.000	1	121.2930	0.000	1	121.2930	0.000	1	121.2930	0.000	1	124.1781	5.467	11	125.0709	7.154	22
542	478	930	0:SP3_SP2_SP3	N[5,5]	C[4,5,5]	C	4:4:3:	4:4:3:1:	3:2:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5]-3:O-2:O-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H){3|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	128.9800	0.000	1	128.9800	0.000	1	127.3517	1.752	4	127.3517	1.752	4	126.0272	10.086	5	125.3661	6.757	8
542	478	930	0:SP3_SP2_SP3	N[5,5]	C[4,5,5]	C	4:4:3:	4:4:3:1:	3:2:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5]-3:O-2:O-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(N[5,5]C[5,5]C)(H)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(N[5,5]C[5,5]C)(H){3|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	126.8090	0.928	3	126.8090	0.861	3	127.3517	1.752	4	127.3517	1.752	4	126.0272	10.086	5	125.3661	6.757	8
542	478	930	0:SP3_SP2_SP3	N[5,5]	C[4,5,5]	C	4:4:3:	4:4:3:3:	3:3:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5]-4:C[4,5]-4:N[5,5]-3:C-3:	N[5,5]-3:C[6a]-3:O-1:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CC[6a]O)	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO)	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(O)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CC[6a]O){1|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO){1|C<4>,2|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(O)	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	126.0272	10.086	5	125.3661	6.757	8
542	478	930	0:SP3_SP2_SP3	N[5]	C[4,5]	C	4:4:3:	3:4:3:2:	3:2:1:	C[4,5]-4:C[5]-4:C-3:	C[6a]-3:C[4,5]-4:N[5]-3:O[4]-2:	N[5]-3:O-2:O-1:	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4])	C(N[5]C[4,5]C[5])(OC)(O)	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4]){2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[4,5]C[5])(OC)(O)	124.5570	0.785	2	124.5570	0.616	2	124.5570	0.616	2	124.5570	0.616	2	124.2643	0.565	3	125.3661	6.757	8
542	478	930	0:SP3_SP2_SP3	N[5]	C[4,5]	C	4:4:3:	4:3:3:2:	3:2:1:	C[4,5]-4:C[5]-4:C-3:	C[4,5]-4:C[6a]-3:N[5]-3:O[4]-2:	N[5]-3:O-2:O-1:	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4])	C(N[5]C[4,5]C[5])(OC)(O)	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4]){2|C<3>,3|C<4>,3|H<1>}	C(N[5]C[4,5]C[5])(OC)(O)	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	124.2643	0.565	3	125.3661	6.757	8
542	478	951	0:SP2_SP-NON_SP3	N[5]	C[4,5]	H	4:3:1:	4:3:3:4:	3:	C[4,5]-4:C[5]-3:H-1:	C[4,5]-4:C[4]-3:N[5]-3:C-4:	N[5]-3:	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H)	C[4,5](C[4,5]C[5]O[4]H)(C[4]O[4]O)(N[5]C[5]H)(CCHH)	H(N[5]C[4,5]C[5])	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[5]O[4]H)(C[4]O[4]O)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>,1|O<1>}	H(N[5]C[4,5]C[5])	121.3760	3.193	2	121.3760	10.197	2	121.7853	5.601	3	121.7853	5.601	3	122.9421	6.497	7	122.9421	6.497	7
542	478	951	0:SP2_SP-NON_SP3	N[5]	C[4,5]	H	4:3:1:	4:3:3:4:	3:	C[4,5]-4:C[5]-3:H-1:	C[4,5]-4:C[4]-3:N[5]-3:C-4:	N[5]-3:	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H)	C[4,5](C[4,5]C[5]O[4]H)(C[4]O[4]O)(N[5]C[5]H)(CCHO)	H(N[5]C[4,5]C[5])	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[5]O[4]H)(C[4]O[4]O)(N[5]C[5]H)(CCHO){1|C<4>,1|H<1>,1|O<1>}	H(N[5]C[4,5]C[5])	122.6040	0.000	1	122.6040	0.000	1	121.7853	5.601	3	121.7853	5.601	3	122.9421	6.497	7	122.9421	6.497	7
542	478	951	0:SP2_SP-NON_SP3	N[5]	C[4,5]	H	4:3:1:	4:4:3:1:	3:	C[4,5]-4:C[5]-3:H-1:	C[4,5,5]-4:C[4]-4:N[5]-3:H-1:	N[5]-3:	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]O)(H)	C[4,5](C[4,5,5]C[5,5]C[4]O[5])(C[4]C[4]HH)(N[5]C[5]H)(H)	H(N[5]C[4,5]C[5])	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4,5,5]C[5,5]C[4]O[5])(C[4]C[4]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,3|H<1>}	H(N[5]C[4,5]C[5])	122.7010	0.000	1	122.7010	0.000	1	122.7010	0.000	1	124.8737	3.585	3	122.9421	6.497	7	122.9421	6.497	7
542	478	951	0:SP2_SP-NON_SP3	N[5]	C[4,5]	H	4:3:1:	4:4:3:1:	3:	C[4,5]-4:C[5]-3:H-1:	C[4,5]-4:C[4]-4:N[5]-3:H-1:	N[5]-3:	N[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(H)	C[4,5](C[4,5]C[4]N[5]H)(C[4]C[4]CH)(N[5]C[5]H)(H)	H(N[5]C[4,5]C[5])	N[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]N[5]H)(C[4]C[4]CH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(N[5]C[4,5]C[5])	125.9600	0.298	2	125.9600	0.089	2	125.9600	0.089	2	124.8737	3.585	3	122.9421	6.497	7	122.9421	6.497	7
542	478	951	0:SP2_SP-NON_SP3	N[5]	C[4,5]	H	4:3:1:	4:4:3:3:	3:	C[4,5]-4:C[5]-3:H-1:	C[4]-4:C[4]-4:C[5]-3:N[5]-3:	N[5]-3:	N[5](C[4,5]C[4]2C[5])(C[5]N[5]O)(H)	C[4,5](C[4]C[5a]C[4]H)2(C[5]N[5]N)(N[5]C[5]H)	H(N[5]C[4,5]C[5])	N[5](C[4,5]C[4]2C[5])(C[5]N[5]O)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[4,5](C[4]C[5a]C[4]H)2(C[5]N[5]N)(N[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(N[5]C[4,5]C[5])	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	122.9421	6.497	7	122.9421	6.497	7
542	478	951	0:SP3_SP-NON_SP3	N[5]	C[4,5]	H	3:4:1:	4:4:3:3:	3:	C[5,6a]-3:C[4,5]-4:H-1:	C[4,5]-4:C[4]-4:N[5]-3:C-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[4,5](C[4,5]C[5,6a]C[3,4]C[6a])(C[4]C[3,4]CH)(N[5]C[5,6a]H)(COO)	H(N[5]C[5,6a]C[4,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[3,4]C[6a])(C[4]C[3,4]CH)(N[5]C[5,6a]H)(COO){2|C<4>,4|C<3>}	H(N[5]C[5,6a]C[4,5])	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	113.3513	1.740	3	113.3513	1.740	3
542	478	951	0:SP3_SP-NON_SP3	N[5]	C[4,5]	H	3:4:1:	4:4:3:4:	3:	C[5,6a]-3:C[4,5]-4:H-1:	C[4,5]-4:C[4]-4:N[5]-3:C-4:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[4,5](C[4,5]C[5,6a]C[3,4]C[6a])(C[4]C[3,4]CH)(N[5]C[5,6a]H)(CHHO)	H(N[5]C[5,6a]C[4,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[3,4]C[6a])(C[4]C[3,4]CH)(N[5]C[5,6a]H)(CHHO){2|C<4>,4|C<3>}	H(N[5]C[5,6a]C[4,5])	112.6555	0.759	2	112.6555	0.576	2	112.6555	0.576	2	112.6555	0.576	2	113.3513	1.740	3	113.3513	1.740	3
542	478	952	0:SP2_SP3_SP3	N[5]	C[4,5]	S	3:4:4:	4:3:4:1:	3:3:1:1:	C[5,6a]-3:C[4,5]-4:S-4:	C[4,5]-4:N[5]-3:C[4]-4:F-1:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]S)(C[4]C[4]HH)(F)	S(N[5]C[5,6a]C[4,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[5,6a]C[4]C)(N[5]C[5,6a]S)(C[4]C[4]HH)(F){2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[4,5])(C[6a]C[6a]2)(O)2	122.1700	0.000	1	122.1700	0.000	1	122.5845	0.344	2	122.5845	0.344	2	122.5845	0.344	2	122.5845	0.344	2
542	478	952	0:SP2_SP3_SP3	N[5]	C[4,5]	S	3:4:4:	4:3:4:1:	3:3:1:1:	C[5,6a]-3:C[4,5]-4:S-4:	C[4,5]-4:N[5]-3:C[4]-4:F-1:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[4,5](C[4,5]C[5,6a]C[6a]C[4])(N[5]C[5,6a]S)(C[4]C[4]HH)(F)	S(N[5]C[5,6a]C[4,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[5,6a]C[6a]C[4])(N[5]C[5,6a]S)(C[4]C[4]HH)(F){2|H<1>,4|C<3>}	S(N[5]C[5,6a]C[4,5])(C[6a]C[6a]2)(O)2	122.9990	0.000	1	122.9990	0.000	1	122.5845	0.344	2	122.5845	0.344	2	122.5845	0.344	2	122.5845	0.344	2
542	478	952	0:SP3_SP3_SP3	N[5]	C[4,5]	S	4:4:4:	3:4:3:1:	3:3:1:1:	C[4,5]-4:C[5]-4:S-4:	N[4,5]-3:C[4]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[4,5]N[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HH)(N[5]C[5]S)(H)	S(N[5]C[4,5]C[5])(C[6a]C[6a]2)(O)2	N[5](C[4,5]N[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO){3|H<1>,4|C<3>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HH)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|H<1>}	S(N[5]C[4,5]C[5])(C[6a]C[6a]2)(O)2	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	122.6430	12.681	3	122.6430	12.681	3
542	478	952	0:SP3_SP3_SP3	N[5]	C[4,5]	S	4:4:4:	4:4:4:3:	3:2:1:1:	C[4,5]-4:C[5]-4:S-4:	C[4]-4:C[4]-4:C[5]-4:N[5]-3:	N[5]-3:O-2:O-1:O-1:	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(SO3)	C[4,5](C[4]C[4]HH)2(C[5]C[5]HH)(N[5]C[5]S)	S(N[5]C[4,5]C[5])(OC)(O)2	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(SO3){1|C<3>,1|C<4>,7|H<1>}	C[4,5](C[4]C[4]HH)2(C[5]C[5]HH)(N[5]C[5]S){1|C<3>,5|H<1>}	S(N[5]C[4,5]C[5])(OC)(O)2	124.6290	1.302	2	124.6290	1.696	2	124.6290	1.696	2	124.6290	1.696	2	122.6430	12.681	3	122.6430	12.681	3
542	478	956	0:SP2_SP2_SP3	N[5]	C[4,5]	N	4:3:3:	4:4:3:4:	3:1:1:	C[4,5]-4:C[5]-3:N-3:	C[4,5]-4:C[4]-4:N[5]-3:C-4:	N[5]-3:O-1:O-1:	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO)	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[4]HH)(N[5]C[5]N)(CH3)	N(N[5]C[4,5]C[5])(O)2	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO){1|N<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[4]HH)(N[5]C[5]N)(CH3){1|N<3>,1|O<1>,2|H<1>}	N(N[5]C[4,5]C[5])(O)2	120.1310	0.048	2	120.1310	0.002	2	120.1310	0.002	2	120.1310	0.002	2	120.1310	0.002	2	120.1310	0.002	2
542	478	959	5:SP2_SP3_SP3	N[5,6]	C[4,5,6]	S[5]	4:4:3:	3:3:4:3:	3:3:1:1:	C[4,5,6]-4:S[5]-4:C[6]-3:	C[4,6a]-3:C[5,6a]-3:C[4,6]-4:N[5,6]-3:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[4,5,6]C[4,6a]C[5,6a]C[4,6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[6]S[5])	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[4,5,6]C[6])(O)2	N[5,6](C[4,5,6]C[4,6a]C[5,6a]C[4,6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[6]S[5]){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[4,5,6]C[6])(O)2{1|H<1>,2|C<4>,4|C<3>}	113.8800	0.000	1	113.8800	0.000	1	113.8800	0.000	1	113.8800	0.000	1	113.8800	0.000	1	113.8800	0.000	1
542	486	486	5:SP2_SP3_SP3	N[5]	C[3,5]	C[3,5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	N[5](C[3,5]C[3,5]C[3]H)2(COO)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H)	N[5](C[3,5]C[3,5]C[3]H)2(COO){2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H){1|C<4>,2|H<1>}	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1
542	486	490	0:SP2_SP3_SP3	N[5]	C[3,5]	C	4:3:4:	3:3:3:3:	3:4:4:4:	C[3,5]-4:C[5]-3:C-4:	C[3]-3:C[3]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2	C(N[5]C[3,5]C[5])(CH3)3	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3){1|C<3>,1|O<1>,2|C<4>}	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2{2|C<3>,2|O<1>}	C(N[5]C[3,5]C[5])(CH3)3	127.5712	0.714	4	127.5712	0.510	4	127.5712	0.510	4	127.5712	0.510	4	126.9005	1.404	6	126.9005	1.404	6
542	486	490	0:SP2_SP3_SP3	N[5]	C[3,5]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[3,5]-4:C[5]-3:C-4:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C)	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH){1|C<3>,5|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	125.3440	0.000	1	125.3440	0.000	1	125.3440	0.000	1	125.3440	0.000	1	126.9005	1.404	6	126.9005	1.404	6
542	486	490	0:SP2_SP3_SP3	N[5]	C[3,5]	C	4:3:4:	4:4:4:3:	3:4:1:1:	C[3,5]-4:C[5]-3:C-4:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(N[5]C[5]C)	C(N[5]C[3,5]C[5])(CClHH)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	C(N[5]C[3,5]C[5])(CClHH)(H)2	125.7740	0.000	1	125.7740	0.000	1	125.7740	0.000	1	125.7740	0.000	1	126.9005	1.404	6	126.9005	1.404	6
542	486	727	5:SP2_SP2_SP3	N[5]	C[3,5,6]	C[5,6a]	4:3:3:	4:4:3:4:	3:3:3:	C[3,5,6]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|C<4>,4|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	109.5030	0.769	2	109.3810	1.884	9
542	486	727	5:SP2_SP2_SP3	N[5]	C[3,5,6]	C[5,6a]	4:3:4:	4:4:3:4:	3:3:3:	C[3,5,6]-4:C[5,6a]-3:S-4:	C[3,5,5,6]-4:C[3,5]-4:N[5]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H)	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,4|C<3>,4|H<1>}	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	109.5030	0.769	2	109.3810	1.884	9
542	486	727	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[3,5]-4:C-3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H){2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.3461	2.377	7	109.3810	1.884	9
542	486	727	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5,6a]	3:4:4:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[3,5]-4:S-4:	C[3]-4:C[5]-3:N[5]-3:C[3]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO){1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.2010	0.000	1	106.2010	0.000	1	106.2010	0.000	1	106.2010	0.000	1	109.3461	2.377	7	109.3810	1.884	9
542	486	727	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5,5]-4:C[3,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	110.4365	0.315	2	110.4365	0.099	2	110.4365	0.099	2	110.2742	0.102	4	109.3461	2.377	7	109.3810	1.884	9
542	486	727	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	110.1120	0.317	2	110.1120	0.100	2	110.1120	0.100	2	110.2742	0.102	4	109.3461	2.377	7	109.3810	1.884	9
542	486	727	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5,6a]	4:3:4:	4:3:3:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S)	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	109.3461	2.377	7	109.3810	1.884	9
542	486	727	5:SP3_SP2_SP3	N[5]	C[3,5,5]	C[5,6a]	4:3:4:	4:4:3:4:	3:3:3:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	107.5980	0.000	1	107.5980	0.000	1	106.8973	0.368	3	106.8973	0.368	3	106.8973	0.368	3	106.8973	0.368	3
542	486	727	5:SP3_SP2_SP3	N[5]	C[3,5,5]	C[5,6a]	4:3:4:	4:4:3:4:	3:3:3:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,3|C<3>,5|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	106.5470	0.000	2	106.5470	0.000	2	106.8973	0.368	3	106.8973	0.368	3	106.8973	0.368	3	106.8973	0.368	3
542	486	762	0:SP3_SP2_SP3	N[5,6]	C[3,5,6]	C[6]	4:3:3:	4:3:3:3:	3:4:1:	C[3,5,6]-4:C[5,6]-3:C[6]-3:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C[6](N[5,6]C[3,5,6]C[5,6])(C[6]C[6]CC)(O)	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O){4|C<3>,5|C<4>}	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[3,5,6]C[5,6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1
542	486	818	0:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:4:3:	4:4:3:3:	3:2:1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O){1|C<3>,3|C<4>,3|H<1>}	119.8950	0.430	2	119.8950	0.185	2	121.5653	3.724	6	121.5653	3.724	6	121.5653	3.724	6	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:4:3:	4:4:3:3:	3:2:1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2)	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	123.9480	0.000	2	123.9480	0.000	2	121.5653	3.724	6	121.5653	3.724	6	121.5653	3.724	6	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:4:3:	4:4:3:3:	3:2:1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	120.3600	0.000	1	120.8530	0.486	2	121.5653	3.724	6	121.5653	3.724	6	121.5653	3.724	6	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:4:3:	4:4:3:3:	3:2:1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	121.3460	0.000	1	120.8530	0.486	2	121.5653	3.724	6	121.5653	3.724	6	121.5653	3.724	6	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	3:3:4:	4:3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[3]-3:N[5]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C){2|H<1>,3|C<3>}	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(COO){2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	123.9437	0.820	4	123.9437	0.673	4	123.9437	0.673	4	123.9437	0.673	4	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[3]-4:	C[3]-4:C[3]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H){3|C<3>,3|H<1>}	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.0625	5.911	2	124.0625	34.936	2	124.0625	34.936	2	124.0625	34.936	2	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	3:4:3:	4:4:3:1:	3:2:2:	C[5]-3:C[3]-4:C[5]-3:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:S[5]-2:N-2:	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N)	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[3]C[5])(S[5]C[5])(NC[6a])	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N){1|S<2>,2|C<3>,4|H<1>}	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<2>,2|C<3>}	C[5](N[5]C[3]C[5])(S[5]C[5])(NC[6a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	3:4:3:	4:4:3:1:	3:3:3:	C[5]-3:C[3]-4:C[5]-3:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N)	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N){1|S<2>,2|C<3>,4|H<1>}	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<2>,2|C<3>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	124.0880	0.000	1	124.0880	0.000	1	124.0880	0.000	1	124.0880	0.000	1	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[5](N[5]C[3]N[5])(N[5]N[5]Cu)(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Cu<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[3]N[5])(N[5]N[5]Cu)(H){1|H<1>,2|C<4>}	130.1016	0.982	5	129.9020	1.010	6	129.7726	0.671	9	129.7726	0.671	9	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[5](N[5]C[3]N[5])(N[5]N[5]Cu)(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){2|Cu<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,2|N<3>}	C[5](N[5]C[3]N[5])(N[5]N[5]Cu)(H){1|Cu<6>,1|H<1>,2|C<4>}	128.9040	0.000	1	129.9020	1.010	6	129.7726	0.671	9	129.7726	0.671	9	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[5](N[5]C[3]N[5])(N[5]N[5]Fe)(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Fe<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[3]N[5])(N[5]N[5]Fe)(H){1|H<1>,2|C<4>}	129.4440	0.000	1	129.4440	0.000	1	129.7726	0.671	9	129.7726	0.671	9	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[5](N[5]C[3]N[5])(N[5]N[5]Mn)(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Mn<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[3]N[5])(N[5]N[5]Mn)(H){1|H<1>,2|C<4>}	129.4740	0.000	1	129.4740	0.000	1	129.7726	0.671	9	129.7726	0.671	9	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	C[5](N[5]C[3]N[5])(N[5]N[5]Zn)(H)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Zn<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[3]N[5])(N[5]N[5]Zn)(H){1|H<1>,2|C<4>}	129.6230	0.000	1	129.6230	0.000	1	129.7726	0.671	9	129.7726	0.671	9	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[5]-3:C[5]-3:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S)	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S)	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S){2|C<4>,4|H<1>}	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[5](N[5]C[3]C[5])(N[5]C[5]C)(S){1|H<1>,4|C<4>}	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:3:3:	4:4:3:1:	3:3:4:	C[3]-4:C[5]-3:C[5]-3:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S)	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH)	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S){2|C<4>,4|H<1>}	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|S<1>,3|C<4>}	124.9330	0.000	1	124.9330	0.000	1	124.9330	0.000	1	124.9330	0.000	1	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:4:3:	4:3:3:4:	3:2:1:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[3]-3:N[5]-3:C-4:	N[5]-3:O[5]-2:O-1:	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH)	C[5](N[5]C[3]C[5])(O[5]C[5])(O)	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5]C[3]C[5])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	123.3500	0.000	1	123.3500	0.000	1	123.3500	0.000	1	123.3500	0.000	1	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:4:3:	4:4:3:1:	3:2:1:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[3,3]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H)	C[5](N[5]C[3]C[5])(O[5]C[5])(O)	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5]C[3]C[5])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	123.7895	0.858	4	123.7895	0.736	4	123.7895	0.736	4	123.8483	0.483	6	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:4:3:	4:4:3:1:	3:2:1:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	C[5](N[5]C[3]C[5])(O[5]C[5])(O)	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](N[5]C[3]C[5])(O[5]C[5])(O){3|C<4>,4|H<1>}	123.6780	0.000	1	123.6780	0.000	1	123.6780	0.000	1	123.8483	0.483	6	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:4:3:	4:4:3:1:	3:2:1:	C[5]-4:C[3]-4:C[5]-3:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H)	C[5](N[5]C[3]C[5])(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O){4|C<3>,4|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](N[5]C[3]C[5])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	124.2540	0.000	1	124.2540	0.000	1	124.2540	0.000	1	123.8483	0.483	6	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:4:3:	4:4:3:1:	3:4:3:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C-3:	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(CC[5a]C)	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C){8|H<1>}	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(CC[5a]C){2|C<4>,5|H<1>}	126.6510	0.317	2	126.6510	0.100	2	126.6510	0.100	2	126.6510	0.100	2	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP2_SP2_SP3	N[5]	C[3]	C[5]	4:4:3:	4:4:3:4:	3:2:1:	C[3]-4:C[5]-4:C[5]-3:	C[3]-4:C[3,3]-4:N[5]-3:C-4:	N[5]-3:O[5]-2:O-1:	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH)	C[5](N[5]C[3]C[5])(O[5]C[5])(O)	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5]C[3]C[5])(O[5]C[5])(O){1|C<3>,3|C<4>,3|H<1>}	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	125.7670	10.294	29	125.0467	11.606	35
542	486	818	0:SP3_SP2_SP3	N[5,5]	C[3,5]	C[5]	4:4:3:	3:4:4:1:	3:2:1:	C[3,5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[3,5]-4:C[3]-4:H-1:	N[5,5]-3:O[5]-2:O-1:	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O)	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H)	C[5](N[5,5]C[3,5]C[5,5])(O[5]C[5])(O)	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O){1|C<3>,1|O<1>,4|H<1>}	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[5](N[5,5]C[3,5]C[5,5])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	118.4888	0.840	4
542	486	818	0:SP3_SP2_SP3	N[5]	C[3,5]	C[5]	4:4:3:	4:4:3:3:	3:2:1:	C[3,5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](N[5]C[3,5]C[5])(O[5]C[5])(O){1|C<3>,3|C<4>,3|H<1>}	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	118.4888	0.840	4
542	486	818	0:SP3_SP2_SP3	N[5]	C[3,6]	C[5]	4:4:3:	4:4:3:3:	3:2:1:	C[3,6]-4:C[5]-4:C[5]-3:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	N[5]-3:O[5]-2:O-1:	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2)	C[5](N[5]C[3,6]C[5])(O[5]C[5])(O)	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](N[5]C[3,6]C[5])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	118.3550	0.000	2	118.3550	0.000	2	118.3550	0.000	2	118.3550	0.000	2	118.3550	0.000	2	118.4888	0.840	4
542	486	818	5:SP2_SP2_SP3	N[5,6]	C[3,5,6,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:	C[3,5,6,6]-4:C[6]-4:C[5]-3:	C[3,6,6]-4:C[3]-4:C[5,6]-4:N[5,6]-3:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O)	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])	C[5](N[5,6]C[3,5,6,6]C[6])(C[5]C[5,6]HH)(O)	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,4|C<4>,5|H<1>}	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6]){10|H<1>,1|O<1>,2|C<4>}	C[5](N[5,6]C[3,5,6,6]C[6])(C[5]C[5,6]HH)(O){2|H<1>,5|C<4>}	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	112.0618	4.119	11
542	486	818	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[3,5]H)(N[5]C[3,5]C)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[3,5]H)(N[5]C[3,5]C)(H){1|C<4>,2|H<1>}	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	112.0696	4.576	10	112.0618	4.119	11
542	486	818	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[5]-3:N-3:	C[3,5]-4:C[3]-4:N[5]-3:C-4:	N[5]-3:N[5]-3:O-1:	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO)	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3)	C[5](N[5]C[3,5]N)2(O)	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO){1|C<4>,1|N<3>,2|H<1>}	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3){1|N<3>,1|O<1>}	C[5](N[5]C[3,5]N)2(O){3|C<4>}	114.3790	0.023	2	114.3790	0.001	2	114.3790	0.001	2	114.3790	0.001	2	112.0696	4.576	10	112.0618	4.119	11
542	486	818	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3,5]-4:C[5]-3:C-3:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	N[5]-3:N[5]-3:O-1:	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO)	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C)	C[5](N[5]C[3,5]C)(N[5]C[5]C)(O)	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO){2|Cl<1>,1|C<3>,4|H<1>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>}	C[5](N[5]C[3,5]C)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	112.0696	4.576	10	112.0618	4.119	11
542	486	818	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:3:4:	3:3:3:3:	3:3:1:	C[3,5]-4:C[5]-3:C-4:	C[3]-3:C[3]-3:N[5]-3:N[5]-3:	N[5]-3:C[5]-3:O-1:	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	C[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2	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[3,5](C[3]C[6a]C[3])(C[3]C[3]C)(N[5]C[5]C)2{2|C<3>,2|O<1>}	C[5](N[5]C[3,5]C)(C[5]N[5]O)(O){1|C<4>,2|C<3>}	110.6880	0.168	4	110.6880	0.028	4	110.6880	0.028	4	110.6880	0.028	4	112.0696	4.576	10	112.0618	4.119	11
542	486	818	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:3:4:	4:4:4:3:	3:2:1:	C[3,5]-4:C[5]-3:C-4:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	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[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C)	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[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	C[5](N[5]C[3,5]C)(O[5]C[5])(O){2|C<4>,2|H<1>}	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	111.3300	0.000	1	112.0696	4.576	10	112.0618	4.119	11
542	486	818	5:SP2_SP2_SP3	N[5]	C[3,5]	C[5]	4:3:4:	4:4:4:3:	4:3:1:	C[3,5]-4:C[5]-3:C-4:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[5]-4:N[5]-3:O-1:	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(N[5]C[5]C)	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[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	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>}	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.0696	4.576	10	112.0618	4.119	11
542	486	818	5:SP3_SP2_SP3	N[5,6]	C[3,5,6]	C[5,6]	4:3:3:	4:3:3:3:	3:3:3:	C[3,5,6]-4:C[5,6]-3:C[6]-3:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	N[5,6]-3:N[6]-3:C[5]-3:	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C)	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O){4|C<3>,5|C<4>}	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C){2|C<4>,2|O<1>,3|C<3>}	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1
542	486	930	0:SP2_SP2_SP3	N[5]	C[3,5,6]	C	4:3:3:	4:4:3:4:	3:2:1:	C[3,5,6]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	N[5]-3:O-2:O-1:	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C(N[5]C[3,5,6]C[5,6a])(OC)(O)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|C<4>,4|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[3,5,6]C[5,6a])(OC)(O)	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	122.0478	5.074	10
542	486	930	0:SP2_SP2_SP3	N[5]	C[3,5]	C	3:4:3:	4:4:3:1:	3:2:1:	C[5,6a]-3:C[3,5]-4:C-3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H){2|C<3>}	C(N[5]C[5,6a]C[3,5])(OC)(O)	122.5180	0.000	1	122.5180	0.000	1	122.5180	0.000	1	122.5180	0.000	1	121.7873	4.945	9	122.0478	5.074	10
542	486	930	0:SP2_SP2_SP3	N[5]	C[3,5]	C	4:3:3:	4:4:3:1:	3:2:1:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5,5]-4:C[3,5]-4:N[5]-3:H-1:	N[5]-3:O-2:O-1:	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,5,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5,5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[3,5])(OC)(O)	120.8985	3.540	2	120.8985	12.535	2	120.8985	12.535	2	121.4814	7.442	5	121.7873	4.945	9	122.0478	5.074	10
542	486	930	0:SP2_SP2_SP3	N[5]	C[3,5]	C	4:3:3:	4:4:3:1:	3:2:1:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5,6]-4:C[3,6]-4:N[5]-3:H-1:	N[5]-3:O-2:O-1:	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[3,5](C[3,5,6]C[5,6a]C[3,6]C[6])(C[3,6]C[3,5,6]C[6a]C[6])(N[5]C[5,6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[3,5])(OC)(O)	121.5850	3.951	2	121.5850	15.613	2	121.5850	15.613	2	121.4814	7.442	5	121.7873	4.945	9	122.0478	5.074	10
542	486	930	0:SP2_SP2_SP3	N[5]	C[3,5]	C	4:3:3:	4:4:3:1:	3:2:1:	C[3,5]-4:C[5]-3:C-3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:O-2:O-1:	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H)	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]C)(H){2|H<1>}	C(N[5]C[3,5]C[5])(OC)(O)	122.4400	0.000	1	122.4400	0.000	1	122.4400	0.000	1	121.4814	7.442	5	121.7873	4.945	9	122.0478	5.074	10
542	486	930	0:SP2_SP2_SP3	N[5]	C[3,5]	C	4:3:3:	4:4:4:3:	3:2:1:	C[3,5]-4:C[5]-3:C-3:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO)	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C)	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO){2|Cl<1>,1|C<3>,4|H<1>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>}	C(N[5]C[3,5]C[5])(OC)(O)	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	121.7873	4.945	9	122.0478	5.074	10
542	486	930	0:SP2_SP2_SP3	N[5]	C[3,5]	C	4:4:3:	4:4:3:1:	3:2:1:	C[3,5]-4:C[3,5]-4:C-3:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:O-2:O-1:	N[5](C[3,5]C[3,5]C[3]H)2(COO)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H)	C(N[5]C[3,5]2)(OC)(O)	N[5](C[3,5]C[3,5]C[3]H)2(COO){2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(N[5]C[3,5]C)(H){1|C<4>,2|H<1>}	C(N[5]C[3,5]2)(OC)(O)	122.6230	2.575	2	122.6230	6.632	2	122.6230	6.632	2	122.6230	6.632	2	121.7873	4.945	9	122.0478	5.074	10
542	486	930	0:SP3_SP2_SP3	N[5]	C[3,5]	C	4:4:3:	4:4:3:3:	3:2:1:	C[3,5]-4:C[5]-4:C-3:	C[3,5,6]-4:C[3]-4:N[5]-3:C-3:	N[5]-3:O-2:O-1:	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO)	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO)	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO){1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[3,5]C[5])(OC)(O)	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1
542	486	952	0:SP2_SP3_SP3	N[5]	C[3,5,6]	S	4:3:4:	4:4:3:4:	3:3:1:1:	C[3,5,6]-4:C[5,6a]-3:S-4:	C[3,5,5,6]-4:C[3,5]-4:N[5]-3:C[6]-4:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH)	S(N[5]C[3,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,4|C<3>,4|H<1>}	C[3,5,6](C[3,5,5,6]C[5,6a]C[3,5]C[5,6])(C[3,5]C[3,5,5,6]C[5]H)(N[5]C[5,6a]S)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	S(N[5]C[3,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	120.1600	0.000	1	120.1600	0.000	1	120.1600	0.000	1	120.1600	0.000	1	120.1600	0.000	1	119.3673	0.480	3
542	486	952	0:SP2_SP3_SP3	N[5]	C[3,5]	S	3:4:4:	4:3:3:4:	3:3:1:1:	C[5,6a]-3:C[3,5]-4:S-4:	C[3]-4:C[5]-3:N[5]-3:C[3]-4:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH)	S(N[5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO){1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[3]C[3]CH){4|C<3>}	S(N[5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)2	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	118.9710	0.017	2	119.3673	0.480	3
542	486	952	0:SP2_SP3_SP3	N[5]	C[3,5]	S	4:3:4:	4:3:3:3:	3:3:1:1:	C[3,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:N[5]-3:C[6a]-3:N[3]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H)	S(N[5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)2	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]N[3]C)(N[5]C[5,6a]S)(C[6a]C[6a]2)(N[3]C[3,5]H){2|H<1>,4|C<3>}	S(N[5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)2	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	118.9710	0.017	2	119.3673	0.480	3
542	486	952	0:SP3_SP3_SP3	N[5]	C[3,5,5]	S	4:3:4:	4:4:3:4:	3:3:1:1:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH)	S(N[5]C[3,5,5]C[5,6a])(C[6a]C[6a]2)(O)2	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,3|C<3>,5|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH){1|C<4>,1|O<1>,2|C<3>}	S(N[5]C[3,5,5]C[5,6a])(C[6a]C[6a]2)(O)2	117.6540	0.000	2	117.6540	0.000	2	117.6540	0.000	2	117.6540	0.000	2	118.4797	2.045	3	118.7738	1.709	4
542	486	952	0:SP3_SP3_SP3	N[5]	C[3,5,5]	S	4:3:4:	4:4:3:4:	3:4:1:1:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	N[5]-3:C-4:O-1:O-1:	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH)	S(N[5]C[3,5,5]C[5,6a])(CH3)(O)2	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>}	S(N[5]C[3,5,5]C[5,6a])(CH3)(O)2	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	118.4797	2.045	3	118.7738	1.709	4
542	486	952	0:SP3_SP3_SP3	N[5]	C[3,5]	S	4:4:4:	4:4:3:1:	3:3:1:1:	C[3,5]-4:C[5]-4:S-4:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H)	S(N[5]C[3,5]C[5])(C[6a]C[6a]2)(O)2	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>}	S(N[5]C[3,5]C[5])(C[6a]C[6a]2)(O)2	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	118.7738	1.709	4
542	486	956	0:SP2_SP2_SP3	N[5]	C[3,5]	N	4:3:3:	4:4:3:4:	3:1:1:	C[3,5]-4:C[5]-3:N-3:	C[3,5]-4:C[3]-4:N[5]-3:C-4:	N[5]-3:O-1:O-1:	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO)	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3)	N(N[5]C[3,5]C[5])(O)2	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO){1|C<4>,1|N<3>,2|H<1>}	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3){1|N<3>,1|O<1>}	N(N[5]C[3,5]C[5])(O)2	120.3135	1.122	2	120.3135	1.259	2	120.3135	1.259	2	120.3135	1.259	2	120.3135	1.259	2	120.3135	1.259	2
542	486	960	0:SP2_SP2_SP3	N[5]	C[3]	N[5]	4:2:2:	3:4:3:1:	3:2:	C[3]-4:C[5]-2:N[5]-2:	N[5]-3:C[3]-4:C[3]-3:H-1:	N[5]-3:N[5]-2:	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H)	N[5](N[5]C[3]C[5])(N[5]N[5])	N[5](C[3]C[3]2H)(C[5]N[5])(N[5]N[5]){1|Fe<6>,3|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)(C[3]C[3]H)(H){1|N<2>,1|N<3>}	N[5](N[5]C[3]C[5])(N[5]N[5]){1|Fe<6>,1|C<3>,1|C<4>,1|H<1>}	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	121.3990	0.410	10	121.3990	0.410	10
542	486	960	0:SP2_SP2_SP3	N[5]	C[3]	N[5]	4:3:2:	3:4:4:1:	3:2:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-2:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](N[5]C[3]C[5])(N[5]N[5])	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Cu<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5](N[5]C[3]C[5])(N[5]N[5]){1|Cu<6>,2|C<4>,2|H<1>}	121.0050	0.708	5	121.2545	0.406	8	121.2545	0.406	8	121.2545	0.406	8	121.3990	0.410	10	121.3990	0.410	10
542	486	960	0:SP2_SP2_SP3	N[5]	C[3]	N[5]	4:3:2:	3:4:4:1:	3:2:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-2:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](N[5]C[3]C[5])(N[5]N[5])	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Fe<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5](N[5]C[3]C[5])(N[5]N[5]){1|Fe<6>,2|C<4>,2|H<1>}	121.7110	0.000	1	121.2545	0.406	8	121.2545	0.406	8	121.2545	0.406	8	121.3990	0.410	10	121.3990	0.410	10
542	486	960	0:SP2_SP2_SP3	N[5]	C[3]	N[5]	4:3:2:	3:4:4:1:	3:2:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-2:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](N[5]C[3]C[5])(N[5]N[5])	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Mn<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5](N[5]C[3]C[5])(N[5]N[5]){1|Mn<6>,2|C<4>,2|H<1>}	121.6210	0.000	1	121.2545	0.406	8	121.2545	0.406	8	121.2545	0.406	8	121.3990	0.410	10	121.3990	0.410	10
542	486	960	0:SP2_SP2_SP3	N[5]	C[3]	N[5]	4:3:2:	3:4:4:1:	3:2:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-2:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](N[5]C[3]C[5])(N[5]N[5])	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){1|Zn<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5](N[5]C[3]C[5])(N[5]N[5]){1|Zn<6>,2|C<4>,2|H<1>}	121.6790	0.000	1	121.2545	0.406	8	121.2545	0.406	8	121.2545	0.406	8	121.3990	0.410	10	121.3990	0.410	10
542	486	960	0:SP2_SP2_SP3	N[5]	C[3]	N[5]	4:3:2:	3:4:4:1:	3:3:	C[3]-4:C[5]-3:N[5]-2:	N[5]-3:C[3]-4:C[3]-4:H-1:	N[5]-3:N[5]-3:	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5])	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H)	N[5](N[5]C[3]C[5])(N[5]N[5]Cu)	N[5](C[3]C[3]2H)(C[5]N[5]H)(N[5]N[5]){2|Cu<6>,4|H<1>}	C[3](N[5]C[5]N[5])(C[3]C[3]HH)2(H){1|H<1>,2|N<3>}	N[5](N[5]C[3]C[5])(N[5]N[5]Cu){1|Cu<6>,2|C<4>,2|H<1>}	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	121.3990	0.410	10	121.3990	0.410	10
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:2:4:	3:1:1:1:	3:3:1:	N[5]-3:O[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:O-1:	N[5](N[5]C[5]O)(O[5]C[5])(CH3)	C(N[5]N[5]O[5])(H)3	N[5](C[5]C[5]C)(N[5]O[5]C)(O)	N[5](N[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>}	C(N[5]N[5]O[5])(H)3	N[5](C[5]C[5]C)(N[5]O[5]C)(O){1|O<1>}	112.3130	0.000	1	112.3130	0.000	1	112.3130	0.000	1	112.3130	0.000	1	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,5]-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[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3)	C(N[5]C[5,5]N[5])(H)3	N[5](C[5]C[5,5]H)(N[5]C[5,5]C)(H)	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	N[5](C[5]C[5,5]H)(N[5]C[5,5]C)(H){1|C<3>,1|C<4>}	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	121.3252	3.497	5	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-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[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	121.3252	3.497	5	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]O)(N[5]C[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(H)	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	N[5](C[5]C[5]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	123.2560	0.926	2	123.2560	0.858	2	123.2560	0.858	2	121.3252	3.497	5	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]S)(N[5]N[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	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	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<4>,1|S<2>}	119.9280	0.000	1	119.9280	0.000	1	119.9280	0.000	1	121.3252	3.497	5	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:2:	N[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](N[5]C[6a]N[5])(C[5]C[5]Ir)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]Ir)(CH3){3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Ir<4>,2|H<1>,3|C<3>}	120.8160	0.000	1	120.8160	0.000	1	121.5515	3.103	4	121.5515	3.103	4	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:2:	N[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](N[5]C[6a]N[5])(C[5]C[5]Mo)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]Mo)(CH3){3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Mo<9>,2|H<1>,3|C<3>}	119.5110	0.000	1	119.5110	0.000	1	121.5515	3.103	4	121.5515	3.103	4	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:2:	N[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](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3){3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Pd<4>,2|H<1>,3|C<3>}	122.9395	0.866	2	122.9395	0.750	2	121.5515	3.103	4	121.5515	3.103	4	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	120.1850	4.869	20	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]-3:C[6a]-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	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[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	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	122.6210	0.000	1	122.6210	0.000	1	122.6210	0.000	1	120.1850	4.869	20	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	120.9640	0.000	1	120.9640	0.000	1	120.1449	4.918	18	120.1850	4.869	20	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	120.9737	0.815	3	119.2895	3.770	13	120.1449	4.918	18	120.1850	4.869	20	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.4500	0.000	1	119.2895	3.770	13	120.1449	4.918	18	120.1850	4.869	20	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.1753	1.551	8	119.2895	3.770	13	120.1449	4.918	18	120.1850	4.869	20	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.9900	0.000	1	119.2895	3.770	13	120.1449	4.918	18	120.1850	4.869	20	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	122.7205	0.742	4	122.7205	0.550	4	120.1449	4.918	18	120.1850	4.869	20	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6]-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[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3)	C(N[5]C[5,6]N[5])(H)3	N[5](C[5]N[5,6]Rh)(N[5]C[5,6]C)(CH3)	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	N[5](C[5]N[5,6]Rh)(N[5]C[5,6]C)(CH3){2|C<3>}	123.4710	0.000	1	123.4710	0.000	1	123.4710	0.000	1	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-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[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3){2|C<3>}	121.9670	0.000	1	121.9670	0.000	1	123.2510	1.311	5	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-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[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	124.1940	1.242	2	124.1940	1.542	2	123.2510	1.311	5	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-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[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CH3){2|C<3>}	123.1650	0.000	1	123.1650	0.000	1	123.2510	1.311	5	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-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[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(CH3){2|C<3>}	122.7350	0.000	1	122.7350	0.000	1	123.2510	1.311	5	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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[5,6]-3:N[5]-3:C-4:	N[5](C[5]N[5,6]Rh)(N[5]C[5,6]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3)	N[5](C[5]N[5,6]Rh)(N[5]C[5,6]C)(CH3){2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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[5,6a]-3:N[5]-3:C-4:	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	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	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|H<1>,3|C<3>}	119.6530	0.000	1	119.6530	0.000	1	119.9317	0.064	3	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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[5,6a]-3:N[5]-3:C-4:	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CH3){2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	119.9950	0.000	1	119.9950	0.000	1	119.9317	0.064	3	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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[5,6a]-3:N[5]-3:C-4:	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(CH3){2|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	120.1470	0.000	1	120.1470	0.000	1	119.9317	0.064	3	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)	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	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	121.6470	0.000	1	121.6470	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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	N[5](C[5]C[5]C)(N[5]C[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	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	122.1190	0.246	2	121.2710	0.751	5	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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	N[5](C[5]C[5]C)(N[5]C[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	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	120.7057	0.523	3	121.2710	0.751	5	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]Cr)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]Cr)(N[5]C[5]C)(CH3){2|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Cr<6>,1|H<1>}	118.7480	0.000	1	118.7480	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Cr)(N[5]C[5]C)(CH3)	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	N[5](C[5]C[5]Cr)(N[5]C[5]C)(CH3){2|H<1>}	123.3200	0.000	1	123.3200	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	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	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	122.3565	0.118	2	122.3565	0.014	2	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Rh)(N[5]C[5]C)(CH3)	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	N[5](C[5]C[5]Rh)(N[5]C[5]C)(CH3){2|H<1>}	123.4630	0.658	2	123.4630	0.432	2	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]Rh)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]Rh)(N[5]C[5]C)(CH3){2|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>}	120.8030	0.167	2	120.8030	0.028	2	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	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	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	123.5910	0.000	1	123.5910	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]H)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ru)(N[5]C[5]C)(CH3)	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	N[5](C[5]N[5]Ru)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	123.7370	0.000	1	123.7370	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Ir)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	120.8770	0.000	1	120.8770	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Ir)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Ir<6>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	119.8110	0.000	1	121.1985	3.850	2	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Ir)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Ir<6>,1|C<4>}	122.5860	0.000	1	121.1985	3.850	2	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Ir)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	119.2790	0.591	2	119.2790	0.349	2	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Ir)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	120.0860	0.000	1	120.0860	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Pd)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	121.4440	0.308	2	121.4440	0.095	2	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Pd)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	121.8608	0.480	6	121.8608	0.230	6	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Rh)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Rh)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	121.6000	0.000	1	121.6000	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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]N[5]Ru)(N[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	118.7460	0.000	1	118.7460	0.000	1	121.4675	1.948	32	121.5559	2.420	42	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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:	C[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	N[5](C[5]N[5]H)(N[5]C[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	N[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	125.7420	0.000	1	125.7420	0.000	1	125.7420	0.000	1	122.9935	15.109	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[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]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	N[5](C[5]N[5]H)(N[5]C[5]C)(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	N[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>}	120.2450	0.000	1	120.2450	0.000	1	120.2450	0.000	1	122.9935	15.109	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CSS)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,4|H<1>}	123.5290	0.000	1	123.5290	0.000	1	123.5290	0.000	1	122.5780	1.809	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	3:3:3:	N[5]-3:C[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](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	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	122.5780	1.809	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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:	C[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	N[5](C[5]N[5]H)(N[5]C[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	N[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	123.3725	0.080	2	123.3725	0.006	2	123.3725	0.006	2	123.3725	0.006	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:4:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	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	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	121.8480	0.917	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:4:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	122.5250	0.000	1	122.5250	0.000	1	122.5250	0.000	1	121.8480	0.917	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-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[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)	C(N[5]C[5,6a]N[5])(CH3)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CH3)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	124.3440	0.915	2	124.3440	0.837	2	124.3440	0.837	2	122.2383	2.647	7	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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[5,6a]-3:N[5]-3:C-4:	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	121.2315	0.702	2	121.2315	0.493	2	121.1077	0.323	4	122.2383	2.647	7	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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[5,6a]-3:N[5]-3:C-4:	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	120.9840	0.645	2	120.9840	0.416	2	121.1077	0.323	4	122.2383	2.647	7	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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	N[5](C[5]C[5]C)(N[5]C[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	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	122.5490	0.000	1	122.5490	0.000	1	122.5490	0.000	1	122.2383	2.647	7	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:4:1:1:	5:3:3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	Ga[6,6]-5:C[5]-3:N[5]-3:	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	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C)	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	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C){2|H<1>,3|C<3>,4|C<4>}	120.8060	0.000	1	121.9455	2.597	2	121.9455	2.597	2	121.9455	2.597	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:4:1:1:	5:3:3:	N[5]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	Ga[6,6]-5:C[5]-3:N[5]-3:	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	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C)	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	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C){2|C<3>,3|H<1>,5|C<4>}	123.0850	0.000	1	121.9455	2.597	2	121.9455	2.597	2	121.9455	2.597	2	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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:O-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)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	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)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|H<1>}	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[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)	N[5](C[5]C[5]H)(N[5]C[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)	N[5](C[5]C[5]H)(N[5]C[5]C)(H){2|H<1>}	121.4280	0.000	1	121.4280	0.000	1	121.4280	0.000	1	119.1880	5.318	3	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP2_SP3	N[5]	C	N[5]	4:3:3:	3:3:3:1:	3:3:1:	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:H-1:	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)	N[5](C[5]C[5]C)(N[5]C[5]C)(H)	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)	N[5](C[5]C[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	118.0680	1.764	2	118.0680	3.110	2	118.0680	3.110	2	119.1880	5.318	3	121.2047	4.489	93	121.2047	4.489	93
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[5,6]	3:3:4:	3:3:1:1:	4:4:3:	N[5,6]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	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	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C)	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	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[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]C[6a]C[5])(N[5]N[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)2(H)	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	N[5](N[5]C[5]C)2(H){1|Ru<9>,1|C<3>}	118.0890	0.000	1	118.0890	0.000	1	120.6222	3.582	4	120.6222	3.582	4	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[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]S)(N[5]N[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	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	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<4>,1|S<2>}	120.5020	0.000	1	121.4667	1.095	3	120.6222	3.582	4	120.6222	3.582	4	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[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]S)(N[5]N[5]H)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]C)(N[5]N[5]H)(H)	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	N[5](N[5]C[5]C)(N[5]N[5]H)(H){1|Pd<5>,1|S<2>}	121.9490	0.891	2	121.4667	1.095	3	120.6222	3.582	4	120.6222	3.582	4	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	3:3:1:	C[5]-3:N[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]C[5]Ru)(N[5]N[5]H)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2(H)	N[5](C[5]C[5]Ru)(N[5]N[5]H)(CC[6a]HH){1|C<3>,1|C<4>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]C)2(H){1|Ru<9>,1|C<3>}	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	3:4:3:	N[5]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:	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	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	4:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	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	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	118.1280	0.000	1	118.1280	0.000	1	117.8977	4.856	3	117.8977	4.856	3	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	4:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	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	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	117.7825	3.103	2	117.7825	9.632	2	117.8977	4.856	3	117.8977	4.856	3	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	4:4:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:	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	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C)	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	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:3:1:	4:3:4:	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:C-4:	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)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)	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)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO){1|O<1>,2|H<1>}	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP2_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:4:4:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C)	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)	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C){2|Cl<1>,3|C<3>}	117.0440	0.000	1	117.0440	0.000	1	117.0440	0.000	1	117.0440	0.000	1	118.9204	4.512	12	119.0191	4.263	13
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	117.5745	64.855	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	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	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	117.5745	64.855	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2){6|C<3>}	119.5250	0.000	1	119.5250	0.000	1	119.5250	0.000	1	119.5250	0.000	1	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	3:4:4:	3:1:1:1:	3:3:2:	N[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3){3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	3:4:4:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:N[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]C[5]CC)(N[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[5]O)	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[5]O){2|C<4>,2|H<1>}	108.5470	0.293	2	108.5470	0.086	2	108.5470	0.086	2	108.5470	0.086	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:2:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C-2:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:2:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:O-2:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	108.3295	1.002	4	108.3295	1.004	4	108.7012	1.444	5	108.7012	1.444	5	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,3|H<1>}	110.1880	0.000	1	110.1880	0.000	1	108.7012	1.444	5	108.7012	1.444	5	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:3:1:	3:3:4:	C[5,5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:P-4:	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H)	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H){6|C<3>}	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3){1|H<1>,4|C<3>}	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	111.5750	3.095	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	111.5750	3.095	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	112.3037	0.042	3	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:P-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	112.2670	0.276	2	112.2670	0.076	2	112.2670	0.076	2	112.3037	0.042	3	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH){4|H<1>}	110.8940	0.556	2	110.8940	0.309	2	110.8940	0.309	2	110.8940	0.309	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	110.1130	0.000	1	110.1130	0.000	1	110.7330	0.769	2	110.7330	0.769	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	111.3530	0.000	1	111.3530	0.000	1	110.7330	0.769	2	110.7330	0.769	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5]-4:N[5]-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]CH)(N[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,3|H<1>}	109.4850	0.119	2	109.4850	0.014	2	109.4850	0.014	2	109.4850	0.014	2	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP2_SP3	N[5]	C	N[5]	4:3:4:	3:4:1:1:	4:3:3:	C[5]-4:N[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]HH)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH){1|C<3>,3|H<1>}	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.8234	12.428	26	110.8234	12.428	26
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	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	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	112.5460	0.000	1	112.5460	0.000	1	112.5460	0.000	1	113.2430	0.972	2	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:1:1:1:	3:3:3:	N[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](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.9400	0.000	1	113.9400	0.000	1	113.9400	0.000	1	113.2430	0.972	2	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	3:3:3:	N[5]-3:C[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](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	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	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	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:1:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	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	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)	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	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:3:3:1:	4:3:4:	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:C-4:	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)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN)	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)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN){1|O<1>,2|H<1>}	119.0970	0.000	1	119.0970	0.000	1	119.0970	0.000	1	119.0970	0.000	1	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[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[5,5]O)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH)	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	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|C<4>}	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	3:3:4:	3:4:4:1:	3:3:4:	B[5]-3:N[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-3:N[5]-3:C-4:	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH)	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH)	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	113.0960	1.802	6	113.0960	3.246	6	113.0960	3.246	6	113.0960	3.246	6	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	3:4:4:	3:1:1:1:	3:3:2:	N[5]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3)	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3){3|C<3>}	C(N[5]C[5]N[5])(H)3	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	4:3:4:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:N-3:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN){1|O<1>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	111.6430	0.000	1	111.6430	0.000	1	111.6430	0.000	1	111.6430	0.000	1	115.1922	13.173	18	115.1922	13.173	18
542	490	542	0:SP3_SP3_SP3	N[5]	C	N[5]	4:3:4:	3:4:4:1:	4:3:4:	B[5]-4:N[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:C-4:	N[5](B[5]C[6a]C[5]Cd)(N[5]B[5]C)(CCCH)	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5]Cd)(N[5]B[5]C)(CCCH)	N[5](B[5]C[6a]C[5]Cd)(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5]Cd)(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	118.1805	2.118	4	118.1805	4.484	4	118.1805	4.484	4	118.1805	4.484	4	115.1922	13.173	18	115.1922	13.173	18
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[3x5]	4:3:4:	3:4:1:1:	4:3:3:3:	Si[3x5]-4:C[5,6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,2|C<4>,2|P<2>,4|C<3>}	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5,6a]C)2{2|C<3>,2|C<4>}	129.0835	0.776	2	129.0835	0.602	2	129.0835	0.602	2	129.0835	0.602	2	132.6745	17.464	4	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[3x5]	4:3:4:	3:4:4:4:	4:3:3:3:	Si[3x5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,5,6]-4:P[5,5,6]-3:N[5]-3:N[5]-3:	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5]C[5]H)(CC3)	C(N[5]Si[3x5]C[5])(CH3)3	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2	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	Si[3x5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(N[5]C[5]C)2{2|C<4>,2|H<1>}	136.2655	0.457	2	136.2655	0.209	2	136.2655	0.209	2	136.2655	0.209	2	132.6745	17.464	4	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5,5]	4:3:4:	3:4:4:1:	5:3:3:2:	Si[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[3x3,4x5,12x6]-5:C[5,6a]-3:N[5]-3:O[5]-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)	Si[5,5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O[5]C[5])	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)	Si[5,5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O[5]C[5]){1|N<2>,3|C<3>,5|B<6>,5|H<1>}	126.3740	0.000	1	126.3740	0.000	1	126.3740	0.000	1	126.3740	0.000	1	128.6080	12.734	5	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5,5]	4:3:4:	3:4:4:4:	3:3:3:3:	Si[5,5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Si[5,5]N[5]3)(C[5]C[5]H)(CC3)	C(N[5]Si[5,5]C[5])(CH3)3	Si[5,5](N[5]B[5a]N[5])2(N[5]C[5]C)2	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	Si[5,5](N[5]B[5a]N[5])2(N[5]C[5]C)2{2|H<1>,4|N<3>}	130.2430	0.605	2	130.2430	0.366	2	130.2430	0.366	2	130.2430	0.366	2	128.6080	12.734	5	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5,5]	4:4:4:	3:4:4:4:	3:3:3:3:	Si[5,5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3)	C(N[5]Si[5,5]C[5])(CH3)3	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3){2|H<1>,2|N<2>,3|C<4>}	C(N[5]Si[5,5]C[5])(CH3)3	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2{3|H<1>,7|C<4>}	123.6350	0.000	1	123.6350	0.000	1	128.0900	39.694	2	128.0900	39.694	2	128.6080	12.734	5	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5,5]	4:4:4:	3:4:4:4:	3:3:3:3:	Si[5,5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3)	C(N[5]Si[5,5]C[5])(CH3)3	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3){1|H<1>,2|N<2>,4|C<4>}	C(N[5]Si[5,5]C[5])(CH3)3	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2{3|H<1>,7|C<4>}	132.5450	0.000	1	132.5450	0.000	1	128.0900	39.694	2	128.0900	39.694	2	128.6080	12.734	5	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:3:1:1:	3:2:2:4:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:S[5]-2:S-2:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	Si[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SC[6a])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	Si[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SC[6a])(CH3){2|C<3>}	121.3410	0.000	1	121.3410	0.000	1	121.3410	0.000	1	121.6245	0.161	2	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:3:1:1:	3:2:2:4:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:S[5]-2:Se-2:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	Si[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SeC[6a])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	Si[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SeC[6a])(CH3){2|C<3>}	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	121.6245	0.161	2	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:3:1:1:	3:3:3:1:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	Si[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	Si[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	127.6725	2.002	2	127.6725	4.007	2	127.6725	4.007	2	127.6725	4.007	2	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:4:1:1:	3:3:4:1:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Si[5]-4:Br-1:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](N[5]C[5,6a]C)2(Si[5]N[5]2C)(Br)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](N[5]C[5,6a]C)2(Si[5]N[5]2C)(Br){2|C<4>,4|C<3>}	126.6620	2.043	4	126.6620	4.174	4	126.6620	4.174	4	126.6082	4.765	6	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:4:1:1:	3:3:4:1:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Si[5]-4:Cl-1:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](N[5]C[5,6a]C)2(Si[5]N[5]2C)(Cl)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](N[5]C[5,6a]C)2(Si[5]N[5]2C)(Cl){2|C<4>,4|C<3>}	126.5005	3.357	2	126.5005	11.267	2	126.5005	11.267	2	126.6082	4.765	6	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:4:1:1:	4:3:3:1:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	Si[6]-4:N[5]-3:N[5]-3:Cl-1:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](Si[6]C[6]N[6]Cl)(N[5]C[5,6a]C)2(Cl)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](Si[6]C[6]N[6]Cl)(N[5]C[5,6a]C)2(Cl){1|N<3>,3|C<3>,3|C<4>}	129.8700	0.755	2	129.8700	0.570	2	129.8700	0.570	2	129.8700	0.570	2	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:4:1:1:	4:3:3:4:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	Si[5]-4:N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH){2|C<4>,4|C<3>}	127.8627	1.267	3	127.8627	1.606	3	127.2440	1.703	5	127.2440	1.703	5	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:4:1:1:	4:3:3:4:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	Si[5]-4:N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](Si[5]N[5]2Cl)(N[5]C[5,6a]C)2(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](Si[5]N[5]2Cl)(N[5]C[5,6a]C)2(CCHH){2|C<4>,4|C<3>}	126.3160	0.853	2	126.3160	0.727	2	127.2440	1.703	5	127.2440	1.703	5	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:4:4:4:	3:2:3:2:	C[5]-3:Si[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:O[5]-2:N-3:N-2:	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C(N[5]Si[5]C[5])(CH3)3	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi)	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	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi){2|C<3>}	126.3880	0.000	1	126.3880	0.000	1	126.3880	0.000	1	126.3880	0.000	1	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:4:4:4:	3:2:3:3:	C[5]-3:Si[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:O[5]-2:N-3:N-3:	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C(N[5]Si[5]C[5])(CH3)3	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH)	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	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH){2|C<3>}	126.6190	0.000	1	126.6190	0.000	1	126.6190	0.000	1	126.6190	0.000	1	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:2:4:	3:4:4:1:	3:2:4:2:	Si[5]-4:N[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:O[5]-2:C-4:O-2:	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH)	C(N[5]Si[5]N[5])(CH3)2(H)	Si[5](N[5]N[5]C)(O[5]C[5])(CH3)(OC)	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH){1|C<4>}	C(N[5]Si[5]N[5])(CH3)2(H)	Si[5](N[5]N[5]C)(O[5]C[5])(CH3)(OC){1|C<4>}	133.7370	0.000	1	133.7370	0.000	1	133.7370	0.000	1	133.7370	0.000	1	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:1:	6:3:3:4:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:N[5]-3:B-4:	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)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3)	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)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]2)(N[5]C[5]C)(BH3){1|N<2>,2|C<3>,2|C<4>,4|H<1>,5|B<6>}	124.6140	0.000	1	124.6140	0.000	1	124.6140	0.000	1	124.6140	0.000	1	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:1:	6:3:4:1:	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:Si-4:H-1:	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)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C)(SiSi3)(H)	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)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C)(SiSi3)(H){1|N<2>,4|H<1>,5|B<6>}	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:4:	3:2:4:4:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	N[5](Si[5]O[5]CC)(C[5]P[5]O)(CC3)	C(N[5]Si[5]C[5])(CH3)3	Si[5](N[5]C[5]C)(O[5]P[5])(CH3)2	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	Si[5](N[5]C[5]C)(O[5]P[5])(CH3)2{1|C<4>,1|O<1>,1|W<6>}	125.6210	0.000	1	125.6210	0.000	1	125.6210	0.000	1	125.6210	0.000	1	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:4:	3:3:3:2:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N[5]-3:As-2:	N[5](Si[5]C[5]N[5]As)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	Si[5](C[5]N[5]2)(N[5]C[5]C)2(AsZn)	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	Si[5](C[5]N[5]2)(N[5]C[5]C)2(AsZn){2|C<3>,2|C<4>,2|H<1>}	128.1860	0.498	2	128.1860	0.248	2	128.1860	0.248	2	129.3110	2.095	4	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:4:	3:3:3:2:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:O-2:	N[5](Si[5]N[5]NO)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	Si[5](N[5]C[5]C)2(NB[5a]H)(OH)	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	Si[5](N[5]C[5]C)2(NB[5a]H)(OH){2|H<1>}	130.4360	0.987	2	130.4360	0.974	2	130.4360	0.974	2	129.3110	2.095	4	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:4:	3:3:4:4:	Si[5]-4:As[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,5]-3:N[5]-3:C-4:C-4:	N[5](Si[5]C[5,5]CC)(As[5]C[5,5]Cl)(CC3)	C(N[5]As[5]Si[5])(CH3)3	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2	N[5](Si[5]C[5,5]CC)(As[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	C(N[5]As[5]Si[5])(CH3)3	Si[5](C[5,5]C[5,5]C[5])(N[5]As[5]C)(CH3)2{1|Cl<1>,2|C<3>,2|C<4>}	126.4330	0.000	2	126.4330	0.000	2	126.4330	0.000	2	126.4330	0.000	2	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:4:	4:3:3:1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[6]-4:N[5]-3:N[5]-3:I-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	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I)	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	Si[5](C[6]C[6]N[6]H)(N[5]C[5]C)2(I){3|C<4>,4|H<1>}	132.1265	0.377	2	132.1265	0.142	2	132.1265	0.142	2	132.1265	0.142	2	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP2_SP3_SP3	N[5]	C	Si[5]	4:3:4:	3:4:4:4:	4:3:4:4:	Si[5]-4:P[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,5]-4:N[5]-3:C-4:C-4:	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3)	C(N[5]Si[5]P[5])(CH3)3	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	C(N[5]Si[5]P[5])(CH3)3	Si[5](C[5,5]C[5,5]C[5]C)(N[5]P[5]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>}	125.7380	0.000	2	125.7380	0.000	2	125.7380	0.000	2	125.7380	0.000	2	127.1240	10.271	33	127.8293	13.301	42
542	490	562	0:SP3_SP3_SP3	N[5]	C	Si[5]	3:4:4:	3:4:1:1:	4:3:3:4:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	Si[5]-4:N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	Si[5](Si[5]N[5]2Br)(N[5]C[5,6a]C)2(CSi[5]HH){2|C<4>,4|C<3>}	127.3690	0.000	1	127.3690	0.000	1	127.3690	0.000	1	127.3690	0.000	1	128.4640	0.985	3	128.4640	0.985	3
542	490	562	0:SP3_SP3_SP3	N[5]	C	Si[5]	4:4:4:	3:4:4:4:	3:3:2:1:	Si[5]-4:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:H-1:	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3)	C(N[5]Si[5]C[5])(CH3)3	Si[5](N[5]C[5]C)2(OSi[5])(H)	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>}	C(N[5]Si[5]C[5])(CH3)3	Si[5](N[5]C[5]C)2(OSi[5])(H){2|C<4>,2|H<1>}	129.0115	0.414	2	129.0115	0.171	2	129.0115	0.171	2	129.0115	0.171	2	128.4640	0.985	3	128.4640	0.985	3
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5,5,6]	4:3:4:	3:4:1:1:	3:3:3:3:	Ge[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	Ge[5,5,6](N[5,6]C[5,6a]C[6])2(N[5]C[5,6a]C)2	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	Ge[5,5,6](N[5,6]C[5,6a]C[6])2(N[5]C[5,6a]C)2{1|C<4>,4|C<3>,4|H<1>}	125.9405	1.245	2	125.9405	1.551	2	125.9405	1.551	2	125.9405	1.551	2	125.9405	1.551	2	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:1:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Br-1:S-1:	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(Br)(S)	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	Ge[5](N[5]C[5]C)2(Br)(S){2|C<3>}	121.2825	0.995	2	121.2825	0.990	2	121.2825	0.990	2	121.2275	0.743	4	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:1:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Br-1:Se-1:	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(Br)(Se)	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	Ge[5](N[5]C[5]C)2(Br)(Se){2|C<3>}	121.1725	1.108	2	121.1725	1.228	2	121.1725	1.228	2	121.2275	0.743	4	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-2:Cl-1:	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(OB)(Cl)	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	Ge[5](N[5]C[5]C)2(OB)(Cl){2|C<3>}	124.4370	0.518	2	124.4370	0.268	2	124.4370	0.268	2	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-2:S-1:	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(OSi)(S)	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	Ge[5](N[5]C[5]C)2(OSi)(S){2|C<3>}	121.3205	1.398	4	121.3205	1.954	4	121.3205	1.954	4	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-2:Se-1:	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(OC)(Se)	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	Ge[5](N[5]C[5]C)2(OC)(Se){2|C<3>}	120.7290	1.575	2	120.7290	2.482	2	120.2595	1.335	4	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-2:Se-1:	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(OSi)(Se)	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	Ge[5](N[5]C[5]C)2(OSi)(Se){2|C<3>}	119.7900	0.800	2	119.7900	0.641	2	120.2595	1.335	4	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:S-1:	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(SC[6a])(S)	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	Ge[5](N[5]C[5]C)2(SC[6a])(S){2|C<3>}	121.3255	0.262	2	121.3255	0.069	2	121.4262	3.373	6	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:S-1:	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(SGe[5])(S)	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	Ge[5](N[5]C[5]C)2(SGe[5])(S){2|C<3>}	121.4765	2.364	4	121.4765	5.589	4	121.4262	3.373	6	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:Se-1:	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(SC[6a])(Se)	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	Ge[5](N[5]C[5]C)2(SC[6a])(Se){2|C<3>}	121.2035	0.309	2	121.2035	0.095	2	121.2035	0.095	2	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:S-1:	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(SeC[6a])(S)	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	Ge[5](N[5]C[5]C)2(SeC[6a])(S){2|C<3>}	121.4155	1.835	2	121.4155	3.367	2	121.4155	3.367	2	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:Se-2:Se-1:	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(SeC[6a])(Se)	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	Ge[5](N[5]C[5]C)2(SeC[6a])(Se){2|C<3>}	121.9545	0.668	2	121.9545	0.447	2	121.9545	0.447	2	121.4954	2.623	22	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-2:O-2:	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(CC)(OB)	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	Ge[5](N[5]C[5]C)2(CC)(OB){2|C<3>}	124.0070	0.472	2	124.0070	0.223	2	124.0070	0.223	2	123.5575	2.190	10	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-2:O-2:	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(OB)(OC)	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	Ge[5](N[5]C[5]C)2(OB)(OC){2|C<3>}	123.7627	1.770	4	123.7627	3.133	4	123.6113	3.640	6	123.5575	2.190	10	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:O-2:O-2:	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(OSi)(OB)	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	Ge[5](N[5]C[5]C)2(OSi)(OB){2|C<3>}	123.3085	2.920	2	123.3085	8.524	2	123.6113	3.640	6	123.5575	2.190	10	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:2:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:S-2:O-2:	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(SC[6a])(OB)	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	Ge[5](N[5]C[5]C)2(SC[6a])(OB){2|C<3>}	122.9465	0.339	2	122.9465	0.115	2	122.9465	0.115	2	123.5575	2.190	10	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:3:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:S-1:	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(NSi2)(S)	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	Ge[5](N[5]C[5]C)2(NSi2)(S){2|C<3>}	119.4730	3.005	2	119.4730	9.031	2	119.4730	9.031	2	120.4100	4.786	8	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:3:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:Se-1:	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(NSi2)(Se)	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	Ge[5](N[5]C[5]C)2(NSi2)(Se){2|C<3>}	119.4810	2.775	2	119.4810	7.699	2	119.4810	7.699	2	120.4100	4.786	8	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:3:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:N[5]-3:N[5]-3:S-1:	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	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(S)	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	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(S){2|H<1>,4|C<3>}	121.3430	1.808	4	121.3430	3.269	4	121.3430	3.269	4	120.4100	4.786	8	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:3:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:O-2:	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	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(OB)	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	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(OB){2|H<1>,4|C<3>}	120.5050	0.164	2	120.5050	0.027	2	120.5050	0.027	2	121.6957	4.320	6	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:3:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:O-2:	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(NSiB)(OSi)	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	Ge[5](N[5]C[5]C)2(NSiB)(OSi){2|C<3>}	123.4040	3.475	2	123.4040	12.074	2	123.4040	12.074	2	121.6957	4.320	6	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:3:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:N[5]-3:N[5]-3:O-2:	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	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(OB)	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	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(OB){2|H<1>,4|C<3>}	121.1780	0.542	2	121.1780	0.293	2	121.1780	0.293	2	121.6957	4.320	6	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:4:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:O-2:	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(CH3)(OB)	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	Ge[5](N[5]C[5]C)2(CH3)(OB){2|C<3>}	121.8395	2.290	2	121.8395	5.246	2	121.8395	5.246	2	121.4685	1.954	4	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:1:1:	3:3:4:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:Se-2:	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	Ge[5](N[5]C[5]C)2(CCCH)(SeZn)	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	Ge[5](N[5]C[5]C)2(CCCH)(SeZn){2|C<3>}	121.0975	0.254	2	121.0975	0.064	2	121.0975	0.064	2	121.4685	1.954	4	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:1:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:F-1:S-1:	N[5](Ge[5]N[5]FS)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](N[5]C[5]C)2(F)(S)	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	Ge[5](N[5]C[5]C)2(F)(S){2|C<3>}	122.0105	0.187	2	122.0105	0.035	2	122.0105	0.035	2	122.0105	0.035	2	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:S-1:	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](N[5]C[5]C)2(OC)(S)	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	Ge[5](N[5]C[5]C)2(OC)(S){2|C<3>}	123.3770	0.840	2	123.3770	0.706	2	122.9117	0.828	4	122.9928	0.574	8	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:S-1:	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](N[5]C[5]C)2(OGe[5])(S)	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	Ge[5](N[5]C[5]C)2(OGe[5])(S){2|C<3>}	122.4465	0.955	2	122.4465	0.913	2	122.9117	0.828	4	122.9928	0.574	8	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:Se-1:	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](N[5]C[5]C)2(OC)(Se)	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	Ge[5](N[5]C[5]C)2(OC)(Se){2|C<3>}	123.5685	0.122	2	123.5685	0.015	2	123.0738	0.493	4	122.9928	0.574	8	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:2:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:Se-1:	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](N[5]C[5]C)2(OGe[5])(Se)	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	Ge[5](N[5]C[5]C)2(OGe[5])(Se){2|C<3>}	122.5790	0.696	2	122.5790	0.484	2	123.0738	0.493	4	122.9928	0.574	8	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:3:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:S-1:	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(S)	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	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(S){2|H<1>,4|C<3>}	121.6095	0.521	2	121.6095	0.272	2	121.6095	0.272	2	121.4933	0.135	4	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:3:1:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:Se-1:	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(Se)	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	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(Se){2|H<1>,4|C<3>}	121.3770	0.284	2	121.3770	0.081	2	121.3770	0.081	2	121.4933	0.135	4	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:3:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:S-2:	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(SAg)	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	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(SAg){2|H<1>,4|C<3>}	121.6310	0.283	2	121.6310	0.080	2	121.6310	0.080	2	121.9617	0.646	4	121.8680	2.904	72	121.9780	3.288	74
542	490	606	0:SP2_SP3_SP3	N[5]	C	Ge[5]	4:3:4:	3:4:4:4:	3:3:3:2:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:Se-2:	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(SeAg)	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	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(SeAg){2|H<1>,4|C<3>}	122.2925	1.191	2	122.2925	1.420	2	122.2925	1.420	2	121.9617	0.646	4	121.8680	2.904	72	121.9780	3.288	74
542	490	686	0:SP2_SP3_SPD5	N[5]	C	Ge[4,5]	5:3:4:	3:4:1:1:	2:2:3:3:1:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:Cl-1:	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	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl)	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	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(Cl){1|Cl<1>,2|C<3>,2|N<3>}	121.1975	0.383	2	121.1975	0.146	2	121.1975	0.146	2	121.1975	0.146	2	120.7716	2.052	8	120.7716	2.052	8
542	490	686	0:SP2_SP3_SPD5	N[5]	C	Ge[4,5]	5:3:4:	3:4:1:1:	2:2:3:3:2:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:O-2:	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	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi)	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	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(OSi){1|O<2>,2|C<3>,2|N<3>}	120.8280	2.298	2	120.8280	5.281	2	120.8280	5.281	2	120.8280	5.281	2	120.7716	2.052	8	120.7716	2.052	8
542	490	686	0:SP2_SP3_SPD5	N[5]	C	Ge[4,5]	5:3:4:	3:4:1:1:	2:2:3:3:3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-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	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	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	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	119.9325	2.579	2	119.9325	6.650	2	119.9325	6.650	2	119.9325	6.650	2	120.7716	2.052	8	120.7716	2.052	8
542	490	686	0:SP2_SP3_SPD5	N[5]	C	Ge[4,5]	5:3:4:	3:4:1:1:	3:2:2:3:3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:O[4]-2:O[4]-2:N[5]-3:N[5]-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	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	Ge[4,5](N[5a]C[5a]2)(O[4]Ge[4,5])2(N[5]C[5]C)2{2|H<1>,3|N<3>,4|C<3>}	121.1285	0.501	2	121.1285	0.251	2	121.1285	0.251	2	121.1285	0.251	2	120.7716	2.052	8	120.7716	2.052	8
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]Pd)(CH3)	C(N[5]C[5,5a]C[5])(H)3	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]Pd)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(N[5]C[5,5a]C[5])(H)3	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>}	125.0670	0.188	2	125.0670	0.035	2	125.0670	0.035	2	125.0670	0.035	2	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-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[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCH)(H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	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[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	127.0690	0.000	1	127.0690	0.000	1	127.0690	0.000	1	127.0690	0.000	1	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:3:1:1:	3:4:3:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,5a]-3:B[5a]-4:N[5]-3:	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[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C)	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[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C){2|C<3>,2|H<1>}	124.9230	0.023	2	124.9230	0.001	2	124.9230	0.001	2	124.9230	0.001	2	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:3:4:1:	3:2:3:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,5a]-3:S[5a]-2:N[5]-3:	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C)	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[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C){1|O<1>,1|S<1>}	124.0970	0.010	2	124.0970	0.000	2	124.0970	0.000	2	124.0970	0.000	2	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:S[5a]-2:N[5]-3:	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,5a]C[5])(CH3)(H)2	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C)	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[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C){1|O<1>,1|S<1>}	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-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[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	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[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	125.9040	0.000	1	125.9040	0.000	1	125.8736	0.286	5	126.0952	0.524	6	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-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[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	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[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,2|O<1>}	126.1555	0.292	2	125.8660	0.381	4	125.8736	0.286	5	126.0952	0.524	6	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-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[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	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[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>}	125.5765	0.851	2	125.8660	0.381	4	125.8736	0.286	5	126.0952	0.524	6	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	127.2030	0.000	1	127.2030	0.000	1	127.2030	0.000	1	126.0952	0.524	6	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:N[5]-3:	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,5a]C[5])(CHHN)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C)	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH){1|N<2>,2|C<3>,2|H<1>}	C(N[5]C[5,5a]C[5])(CHHN)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C){2|C<3>,5|H<1>}	125.3500	1.109	2	125.3500	1.229	2	125.3500	1.229	2	125.3500	1.229	2	125.3442	1.293	16	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	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[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	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[5,6a,6a](B[3x6a]N[5a,6a,6a]2C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	128.5240	0.000	1	128.5240	0.000	1	127.6555	1.509	2	127.6555	1.509	2	127.6555	1.509	2	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a,6a]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	B[3x6a]-4:N[5,6a,6a]-3:N[5]-3:	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[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C)	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[5,6a,6a](B[3x6a]N[5a,6a,6a]N[6a,6a]C[6a])(N[5,6a,6a]B[3x6a]C[5])(N[5]C[5]C){2|H<1>,7|C<3>}	126.7870	0.000	1	126.7870	0.000	1	127.6555	1.509	2	127.6555	1.509	2	127.6555	1.509	2	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|B<4>,1|C<3>,2|H<1>}	128.4490	0.000	1	127.8898	0.373	10	127.8898	0.373	10	127.0132	2.324	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	127.8277	0.613	9	127.8898	0.373	10	127.8898	0.373	10	127.0132	2.324	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:S[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3)	C(N[5]C[5,6a]S[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]S[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|H<1>}	126.0020	0.000	1	126.0020	0.000	1	126.0020	0.000	1	127.0132	2.324	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3)	C(N[5]C[5,6a]Se[5])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]Se[5])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C){1|H<1>,3|C<3>}	126.7680	0.000	1	126.7680	0.000	1	126.7680	0.000	1	127.0132	2.324	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3)	C(N[5]C[5,6a]Se[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	124.5100	0.899	3	124.5100	0.809	3	124.5100	0.809	3	127.0132	2.324	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	C(N[5]C[5,6a]N[5])(OC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(OC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	128.1540	0.000	1	127.7320	0.356	2	127.7320	0.356	2	127.7320	0.356	2	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	C(N[5]C[5,6a]N[5])(OC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){2|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])(OC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,3|H<1>}	127.3100	0.000	1	127.7320	0.356	2	127.7320	0.356	2	127.7320	0.356	2	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH)	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	120.6765	0.456	2	120.6765	0.208	2	120.6765	0.208	2	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	128.3680	0.000	1	128.3680	0.000	1	128.1354	0.250	9	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Zn<4>,1|C<3>,2|H<1>}	128.7965	0.115	2	128.7965	0.013	2	128.1354	0.250	9	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Co<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,2|H<1>}	127.6030	0.000	1	127.8763	0.132	6	128.1354	0.250	9	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	127.9700	0.505	2	127.8763	0.132	6	128.1354	0.250	9	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Ni<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,2|H<1>}	127.6990	0.000	1	127.8763	0.132	6	128.1354	0.250	9	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Zn<4>,1|C<3>,2|H<1>}	128.0080	0.495	2	127.8763	0.132	6	128.1354	0.250	9	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:O[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C(N[5]C[5,6a]O[5])(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]O[5])(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|C<4>,3|H<1>}	115.8040	0.000	1	115.8040	0.000	1	115.8040	0.000	1	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH)	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	125.4267	1.177	3	125.4267	1.386	3	125.4267	1.386	3	125.7771	14.779	15	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	126.5350	0.000	1	126.5350	0.000	1	126.5350	0.000	1	123.4385	9.528	17	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.3385	0.302	2	122.3385	0.091	2	120.8336	3.462	8	123.4385	9.528	17	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	122.0593	0.220	3	122.0593	0.049	3	120.8336	3.462	8	123.4385	9.528	17	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	118.3400	0.000	1	118.3400	0.000	1	120.8336	3.462	8	123.4385	9.528	17	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.7370	0.017	2	118.7370	0.000	2	120.8336	3.462	8	123.4385	9.528	17	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	128.5850	0.489	2	128.5850	0.239	2	128.5850	0.239	2	123.4385	9.528	17	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	124.7865	0.795	2	124.7865	0.633	2	124.6800	0.377	6	123.4385	9.528	17	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	124.6268	0.637	4	124.6268	0.406	4	124.6800	0.377	6	123.4385	9.528	17	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	124.4333	0.337	3	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH)	C(N[5]C[5,6a]Se[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	124.6830	0.547	2	124.6830	0.300	2	124.6830	0.300	2	124.4333	0.337	3	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:4:3:	3:3:3:	C[5,6a]-3:O[5]-2:C-4:	N[5]-3:C-4:C-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|N<2>,2|H<1>}	128.4240	5.127	2	128.4240	26.281	2	128.4240	26.281	2	128.4240	26.281	2	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:Ge[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3)	C(N[5]C[5,6a]Ge[5])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]Ge[5])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,3|H<1>}	123.2201	0.310	8	123.2201	0.096	8	123.2201	0.096	8	123.7314	2.437	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:Se[5]-2:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3)	C(N[5]C[5,6a]Se[5])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Se[5])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	127.8220	0.000	1	127.8220	0.000	1	127.8220	0.000	1	123.7314	2.437	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.2920	0.000	1	125.2920	0.000	1	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	125.5040	1.154	2	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	126.3540	0.000	1	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	126.2610	0.000	1	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Ir<6>,1|C<3>,1|H<1>,1|N<2>}	126.3125	0.353	2	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	126.3400	0.000	1	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|N<2>,1|N<3>,2|H<1>}	127.1560	0.000	1	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	126.3032	0.853	5	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<2>,1|N<3>,2|H<1>}	126.8790	0.000	1	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<3>,1|O<1>,2|H<1>}	126.4874	0.626	5	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<6>,1|C<3>,1|N<2>,2|H<1>}	125.2950	0.000	1	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	126.9980	0.000	1	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>}	125.9020	0.000	1	126.3078	0.481	22	126.2636	0.504	23	126.2636	0.504	23	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:C[6a]-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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	123.5900	0.000	1	123.5900	0.000	1	123.5900	0.000	1	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6,6]-3:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-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[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	125.6787	1.252	3	125.6787	1.568	3	125.0156	2.060	5	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	123.0710	0.000	1	123.0710	0.000	1	125.0156	2.060	5	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.9710	0.000	1	124.9710	0.000	1	125.0156	2.060	5	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	123.3570	0.000	2	123.3570	0.000	2	124.5035	1.903	4	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	125.1750	0.000	1	125.1750	0.000	1	124.5035	1.903	4	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3: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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,2|H<1>}	126.1250	0.000	1	126.1250	0.000	1	124.5035	1.903	4	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Cl-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	125.2600	0.000	1	125.2600	0.000	1	125.2600	0.000	1	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CF3)	C(N[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CF3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	122.8230	0.000	1	122.8230	0.000	1	125.4822	3.072	8	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CF3)	C(N[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CF3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	122.6300	0.000	1	122.6300	0.000	1	125.4822	3.072	8	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	125.9060	0.310	2	126.4008	0.246	6	125.4822	3.072	8	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,2|C<3>,2|H<1>}	126.6483	0.365	4	126.4008	0.246	6	125.4822	3.072	8	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	125.0165	0.040	2	125.0165	0.002	2	125.0165	0.002	2	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	124.5260	0.626	2	124.5260	0.392	2	124.7599	0.201	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	124.6840	0.380	2	124.6840	0.145	2	124.7599	0.201	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	124.9017	0.590	3	124.8838	0.218	5	124.7599	0.201	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	124.8570	0.419	2	124.8838	0.218	5	124.7599	0.201	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|O<1>,4|C<3>}	125.3110	0.000	1	125.3110	0.000	1	125.4082	1.086	6	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	124.9395	0.467	4	124.9395	0.218	4	125.4082	1.086	6	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C){1|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	127.3800	0.000	1	127.3800	0.000	1	125.4082	1.086	6	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6,6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	128.6450	0.116	2	128.6450	0.013	2	128.6450	0.013	2	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	123.4415	0.350	2	123.4415	0.123	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.2825	2.265	2	123.2825	5.130	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	127.9110	0.341	2	127.9110	0.116	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.8040	0.000	1	125.8040	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.0375	0.383	2	124.9587	0.299	15	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	125.3063	0.748	4	124.9587	0.299	15	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.7867	0.447	9	124.9587	0.299	15	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.2490	0.000	1	124.2490	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.0330	0.000	1	125.0330	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	125.1477	0.115	3	125.1477	0.013	3	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	127.5510	0.000	1	127.0040	0.598	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	126.4570	0.000	1	127.0040	0.598	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	124.8755	0.830	6	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.9751	0.693	34	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	124.5520	0.000	1	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.2330	0.000	1	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.7659	0.597	29	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.7430	0.000	1	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	125.2980	0.000	1	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.7213	0.652	31	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	124.9150	0.444	2	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	124.0330	0.000	1	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	124.0882	0.415	6	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	124.2830	0.000	1	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.8363	0.461	6	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	123.5210	0.000	1	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.6634	0.590	32	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	125.3820	0.243	2	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	124.5730	0.359	2	124.7462	0.415	157	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	127.2500	0.000	1	127.2500	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.6550	0.000	1	124.6550	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	127.3300	0.000	1	127.3300	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	127.1145	0.825	4	127.1145	0.681	4	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	125.9980	0.000	1	125.9980	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	124.2220	0.584	3	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	124.7320	0.000	1	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.0184	1.016	5	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.4725	0.277	10	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.9168	0.651	19	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	125.1960	0.000	1	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.1800	0.000	2	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.9540	0.201	3	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	124.0260	0.000	1	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	124.4850	0.000	1	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	124.8930	0.000	1	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	124.4450	0.000	1	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	124.7015	0.663	11	124.6376	0.403	59	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	123.3720	0.000	1	123.3720	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|F<1>,2|C<4>,3|C<3>}	124.4920	1.966	2	124.4920	3.864	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	123.0280	1.244	7	123.0280	1.549	7	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	123.3045	0.128	2	122.4879	1.359	44	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	123.1640	0.096	2	122.4879	1.359	44	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	122.3351	1.105	39	122.4879	1.359	44	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,4|C<3>}	125.4630	0.000	1	122.4879	1.359	44	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,4|H<1>}	124.4570	1.138	2	124.3585	0.492	4	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,4|H<1>}	124.2600	0.378	2	124.3585	0.492	4	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	123.0270	0.000	1	123.7548	1.157	8	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	122.7060	0.000	1	123.7548	1.157	8	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	124.1645	0.190	2	123.7548	1.157	8	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	125.0120	0.000	1	123.7548	1.157	8	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	124.9060	0.000	1	123.7548	1.157	8	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	124.0630	0.000	1	123.7548	1.157	8	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,2|H<1>,3|C<3>}	121.9950	0.000	1	123.7548	1.157	8	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.2150	0.300	2	123.2150	0.090	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.8810	1.743	4	121.0054	11.404	9	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	117.4655	2.647	2	121.0054	11.404	9	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	124.9940	0.461	2	121.0054	11.404	9	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	124.6060	0.000	1	121.0054	11.404	9	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	128.8050	0.000	1	128.8050	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	128.5160	0.000	1	128.0264	0.155	7	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	127.6325	0.295	2	128.0264	0.155	7	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	127.9075	0.161	2	128.0264	0.155	7	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	128.2945	0.306	2	128.0264	0.155	7	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,2|C<3>,2|O<1>}	128.3350	0.000	1	128.3350	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	126.6545	0.120	2	126.6545	0.014	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,3|H<1>}	125.2210	0.192	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	124.6280	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	124.3770	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	124.8453	1.087	12	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	125.9890	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.0716	0.632	27	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	124.3210	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	124.8560	0.757	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.9520	0.402	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.7539	0.494	23	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.0720	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	125.6890	0.065	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.7955	0.650	34	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.2810	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	124.7534	0.386	9	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.6497	0.551	8	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	126.5180	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.3425	0.101	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	124.1550	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	124.9335	0.512	17	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<1>}	125.1465	0.213	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	125.6970	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	125.0545	0.364	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	126.4190	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.0560	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	125.3633	0.772	3	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	124.4293	0.522	7	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	124.4257	0.779	3	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.3360	0.501	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.6585	0.471	8	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	124.7205	0.175	2	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.2490	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1240	0.660	23	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	125.0130	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	124.9055	0.594	32	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	124.5446	0.756	7	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	124.7590	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	124.7950	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	125.1240	0.000	1	124.8651	0.424	247	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	127.7510	0.000	2	127.7510	0.000	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	123.3455	0.213	2	123.3455	0.045	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Yb)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Yb)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Yb<12>,1|C<3>,1|C<4>,2|H<1>}	122.7490	0.290	2	122.7490	0.084	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<5>,2|C<3>,2|H<1>}	124.4203	0.289	3	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	125.1360	0.000	1	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	123.9955	0.326	2	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	124.0647	0.792	3	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	123.4070	3.395	7	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,2|C<3>,2|H<1>}	124.4477	0.207	3	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	123.9318	0.256	5	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	125.1509	1.135	15	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	123.7630	0.000	1	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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<2>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	124.3397	0.549	3	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	124.0687	0.486	4	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	124.1170	0.700	2	124.3671	2.281	49	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	125.7035	0.136	2	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	124.8045	0.998	6	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	122.4745	1.112	2	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,2|C<3>,2|H<1>}	124.1430	0.000	1	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	123.5980	0.000	1	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	124.2076	1.801	8	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<5>,1|H<1>,3|C<3>}	123.2565	0.473	2	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|H<1>,3|C<3>}	123.7385	0.795	4	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	124.3495	0.784	2	124.1697	1.755	28	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	120.5450	0.000	1	120.5450	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	122.6511	1.260	15	122.6511	1.588	15	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<4>,1|C<3>,1|C<4>,2|H<1>}	125.3380	0.749	8	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	123.9052	0.728	14	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	123.8183	0.863	30	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	124.6453	1.685	8	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	125.4620	0.598	2	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	125.6689	0.937	9	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<7>,1|C<3>,1|C<4>,2|H<1>}	125.6250	0.515	2	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	125.2504	0.824	16	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	121.7110	0.095	2	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	126.0331	0.956	9	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	125.6160	0.501	2	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,3|H<1>}	126.3170	0.000	1	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.6273	1.234	6	124.7277	1.668	109	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	123.8840	0.065	2	123.8840	0.004	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,2|C<3>,2|H<1>}	123.1559	0.510	9	122.4243	2.020	13	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	122.9750	0.000	1	122.4243	2.020	13	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<8>,2|C<3>,2|H<1>}	120.0460	0.178	3	122.4243	2.020	13	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.4190	0.157	2	124.9200	0.765	3	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	125.9220	0.000	1	124.9200	0.765	3	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.7403	0.665	4	125.7403	0.442	4	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	129.6630	0.307	2	129.6630	0.094	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,3|H<1>}	125.8370	1.044	3	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.1206	0.741	14	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	126.9125	0.224	2	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	126.0840	0.281	2	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	125.0010	0.000	1	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	125.8073	0.791	3	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	125.6430	0.000	1	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<3>,3|H<1>}	126.6665	0.455	2	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	126.0230	0.000	1	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	126.1420	0.000	1	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<3>,3|H<1>}	126.3840	0.000	1	126.1013	0.495	31	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|H<1>}	128.6630	0.000	1	128.6630	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	127.2910	0.000	1	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	126.2805	0.185	2	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	127.1810	0.000	2	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	126.7045	0.233	2	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,3|H<1>}	126.0030	0.458	5	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.7915	0.070	2	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	126.0145	0.019	2	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,2|H<1>}	127.4690	0.880	5	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	126.1773	0.685	3	126.6303	0.573	24	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<3>,1|C<3>,1|C<4>,2|H<1>}	124.6390	1.136	2	123.4200	2.219	37	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	123.0380	2.029	3	123.4200	2.219	37	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	124.7985	3.498	2	123.4200	2.219	37	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	124.7495	0.330	6	123.4200	2.219	37	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	120.9600	0.612	4	123.4200	2.219	37	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|H<1>,3|C<3>}	124.6850	0.000	1	123.4200	2.219	37	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	123.2233	0.845	18	123.4200	2.219	37	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	123.5110	0.000	1	123.4200	2.219	37	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,3|H<1>}	120.8030	0.000	1	120.8030	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	125.4077	1.642	4	125.0847	2.586	6	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	123.0990	0.000	1	125.0847	2.586	6	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	125.7780	0.000	1	125.0847	2.586	6	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){1|B<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|B<4>,1|C<3>,2|H<1>}	124.7696	0.327	12	124.4112	0.507	21	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	123.6534	0.693	7	124.4112	0.507	21	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	124.9130	0.103	2	124.4112	0.507	21	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	127.1604	0.558	5	127.1604	0.311	5	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	123.1910	0.000	1	122.5441	2.183	12	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	122.2990	1.261	5	122.5441	2.183	12	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<7>,2|C<3>,2|H<1>}	122.7960	2.009	5	122.5441	2.183	12	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	121.8630	0.000	1	122.5441	2.183	12	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	124.2762	0.986	16	124.1509	1.004	18	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	123.1490	0.453	2	124.1509	1.004	18	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	124.3139	1.038	38	124.1984	1.099	56	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	124.0035	0.023	2	124.1984	1.099	56	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	123.5920	0.000	1	124.1984	1.099	56	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	124.0507	1.232	9	124.1984	1.099	56	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,2|C<3>,2|H<1>}	122.0960	0.000	1	124.1984	1.099	56	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<6>,2|C<3>,2|H<1>}	124.3195	0.930	4	124.1984	1.099	56	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<7>,2|C<3>,2|H<1>}	123.7500	0.000	1	124.1984	1.099	56	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	124.0126	0.779	10	124.0448	0.557	11	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|H<1>}	124.3670	0.000	1	124.0448	0.557	11	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	124.5950	0.000	1	124.8760	0.158	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|O<1>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|C<4>}	125.1570	0.000	1	124.8760	0.158	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	123.5137	0.271	3	123.5137	0.073	3	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	123.4387	0.716	3	123.0768	0.747	5	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	122.5340	0.990	2	123.0768	0.747	5	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|O<1>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Rh<6>,1|C<3>,3|C<4>}	125.0650	0.000	1	125.0650	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	123.1690	0.000	1	122.7744	1.172	5	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	120.8700	0.000	1	122.7744	1.172	5	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	123.1790	0.000	1	122.7744	1.172	5	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	123.3270	0.363	2	122.7744	1.172	5	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.6555	0.105	4	124.6555	0.011	4	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	124.4263	0.415	3	124.7421	0.363	13	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	124.6383	0.584	6	124.7421	0.363	13	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	124.8225	0.599	2	124.7421	0.363	13	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	125.4465	0.759	2	124.7421	0.363	13	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	124.2096	0.675	5	124.2460	1.013	18	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	125.8090	0.348	2	124.2460	1.013	18	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,3|H<1>}	125.3780	0.000	1	124.2460	1.013	18	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,3|H<1>}	123.8384	0.909	10	124.2460	1.013	18	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(CH3){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	124.6200	0.000	1	124.6200	0.000	1	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	120.8537	1.149	19	120.8537	1.320	19	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	123.0891	1.437	7	123.0891	2.064	7	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	122.8095	0.333	2	122.7858	0.670	6	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	122.7740	1.039	4	122.7858	0.670	6	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,2|H<1>}	122.0090	0.182	2	122.0090	0.033	2	124.4534	2.265	1129	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:N[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	131.7520	0.000	1	131.4980	0.219	7	130.9914	1.197	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:N[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<3>,2|O<1>}	132.1420	0.000	1	131.4980	0.219	7	130.9914	1.197	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:N[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	131.4250	0.000	1	131.4980	0.219	7	130.9914	1.197	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:N[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	131.2917	0.468	4	131.4980	0.219	7	130.9914	1.197	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:N[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Pt)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Pt)(CH3){2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|N<3>,2|O<1>}	128.9170	0.000	1	128.9170	0.000	1	130.9914	1.197	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:N[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Rh)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Rh)(CH3){2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Rh<6>,1|C<4>,1|N<3>,2|O<1>}	129.5200	0.000	1	129.5200	0.000	1	130.9914	1.197	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Pt)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	128.4615	0.032	2	128.4615	0.001	2	128.4615	0.001	2	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.0710	0.000	1	125.0710	0.000	1	127.1637	2.122	4	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	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[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	127.6015	0.349	2	127.6015	0.122	2	127.1637	2.122	4	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	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[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<2>,2|H<1>,3|C<3>}	128.3810	0.000	1	128.3810	0.000	1	127.1637	2.122	4	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	129.7900	0.000	1	129.3616	0.884	5	128.9211	1.791	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	128.9497	1.047	3	129.3616	0.884	5	128.9211	1.791	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	130.1690	0.000	1	129.3616	0.884	5	128.9211	1.791	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,2|C<3>,2|H<1>}	128.1350	0.000	1	128.1350	0.000	1	128.9211	1.791	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	130.1850	0.000	1	130.1850	0.000	1	128.9211	1.791	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	128.9980	0.000	1	128.9980	0.000	1	128.9211	1.791	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	126.1640	0.000	1	126.1640	0.000	1	128.9211	1.791	9	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:P[5,5]-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[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,2|C<3>,2|H<1>}	121.2740	0.157	2	121.2740	0.025	2	121.2740	0.025	2	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:P[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[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3)	C(N[5]C[5,6a]P[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]P[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|N<3>,2|C<3>,2|H<1>}	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	124.5663	2.790	1195	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	124.4320	0.475	2	124.4320	0.226	2	124.4320	0.226	2	125.6372	5.147	6	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	128.0505	2.331	2	126.2398	7.050	4	126.2398	7.050	4	125.6372	5.147	6	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	124.4290	1.612	2	126.2398	7.050	4	126.2398	7.050	4	125.6372	5.147	6	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	125.3080	0.000	1	124.9240	0.112	3	125.1414	0.171	7	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	124.7320	0.054	2	124.9240	0.112	3	125.1414	0.171	7	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.7840	0.000	1	125.3045	0.185	4	125.1414	0.171	7	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	125.8330	0.000	1	125.3045	0.185	4	125.1414	0.171	7	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	125.3005	0.067	2	125.3045	0.185	4	125.1414	0.171	7	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.2280	0.000	1	123.2280	0.000	1	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.2973	0.712	3	124.3440	0.347	4	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.4840	0.000	1	124.3440	0.347	4	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	127.7325	1.042	2	127.7325	1.085	2	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	123.2900	0.000	1	123.2900	0.000	1	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	127.0720	0.000	1	127.0720	0.000	1	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	127.6840	0.000	1	127.6840	0.000	1	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	123.7070	0.000	1	123.7070	0.000	1	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.4140	0.979	2	125.4140	0.958	2	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	125.0840	0.137	3	125.0840	0.019	3	125.2439	2.561	16	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	125.3870	0.000	1	125.3870	0.000	1	125.0920	0.174	2	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS)	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	124.7970	0.000	1	124.7970	0.000	1	125.0920	0.174	2	125.2030	1.654	25	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	124.0400	0.000	1	124.0400	0.000	1	124.0400	0.000	1	124.0400	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	124.1945	0.013	2	124.1945	0.000	2	124.1945	0.000	2	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	123.0425	1.372	2	123.0425	1.884	2	123.7367	2.387	3	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,2|C<3>,2|H<1>}	125.1250	0.000	1	125.1250	0.000	1	123.7367	2.387	3	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	125.5270	0.000	1	125.5270	0.000	1	125.5270	0.000	1	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.4090	0.000	1	125.4090	0.000	1	124.9993	1.509	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	124.5317	0.671	3	124.4698	0.315	4	124.9993	1.509	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.2840	0.000	1	124.4698	0.315	4	124.9993	1.509	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,2|C<3>,2|H<1>}	124.1180	0.000	1	124.1732	0.682	4	124.9993	1.509	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	124.7745	0.070	2	124.1732	0.682	4	124.9993	1.509	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	123.0260	0.000	1	124.1732	0.682	4	124.9993	1.509	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.2205	0.018	2	126.2205	0.000	2	124.9993	1.509	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	127.5700	0.000	1	127.5700	0.000	1	124.9993	1.509	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	124.1550	0.000	1	124.1550	0.000	1	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,2|C<3>,2|H<1>}	122.6110	0.000	1	123.1753	0.901	6	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	123.7400	0.117	2	123.1753	0.901	6	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	124.4850	0.000	1	123.1753	0.901	6	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	122.0620	0.000	1	123.1753	0.901	6	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<4>,1|H<1>,2|C<3>}	122.4140	0.000	1	123.1753	0.901	6	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	124.7548	1.031	5	125.1321	1.400	7	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	126.0755	1.288	2	125.1321	1.400	7	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.3680	0.293	4	126.1116	0.393	5	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,3|H<1>}	125.0860	0.000	1	126.1116	0.393	5	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	121.7740	0.245	2	121.7740	0.060	2	124.4399	2.788	21	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.9590	0.000	1	125.0670	0.197	4	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1030	0.536	3	125.0670	0.197	4	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.7578	0.559	4	125.0049	0.452	7	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.8895	0.124	2	125.0049	0.452	7	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	126.2240	0.000	1	125.0049	0.452	7	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.2355	0.978	2	124.2355	0.956	2	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.2872	0.673	5	124.8690	0.627	8	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.5290	0.000	1	124.8690	0.627	8	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	123.9935	0.235	2	124.8690	0.627	8	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	124.9150	0.000	1	124.9150	0.000	1	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	125.0450	0.221	3	125.5045	0.772	20	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	126.5905	0.022	2	125.5045	0.772	20	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	126.4330	0.888	3	125.5045	0.772	20	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	125.3072	0.723	5	125.5045	0.772	20	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.1005	0.511	2	125.5045	0.772	20	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.8350	0.000	1	125.5045	0.772	20	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	125.5920	0.229	2	125.5045	0.772	20	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	125.8600	0.400	2	125.5045	0.772	20	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	126.0500	0.000	1	126.0500	0.000	1	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	124.6150	0.000	1	124.6150	0.000	1	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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])(CNO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	127.9640	0.000	1	127.9640	0.000	1	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	124.4317	0.301	3	124.7877	0.331	7	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	125.0547	0.616	4	124.7877	0.331	7	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	124.4391	0.248	7	124.4391	0.062	7	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.9324	0.295	5	126.0453	0.146	6	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	126.6100	0.000	1	126.0453	0.146	6	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.3050	0.000	1	126.3050	0.000	1	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	127.5030	0.000	1	127.5030	0.000	1	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.9706	0.421	11	126.0516	0.240	12	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	126.9420	0.000	1	126.0516	0.240	12	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	121.9320	0.000	1	121.9320	0.000	1	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	123.4915	0.337	2	123.4915	0.114	2	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CNO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	123.9783	0.225	3	123.9783	0.050	3	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CNO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	125.1293	1.059	3	125.1293	1.121	3	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	123.5935	0.771	2	123.5935	0.595	2	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	125.7060	0.412	2	125.7060	0.169	2	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	122.5260	0.000	1	122.5260	0.000	1	125.1722	1.136	93	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	128.4340	0.390	2	128.4340	0.152	2	128.4340	0.152	2	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	124.7865	1.433	2	124.7865	2.054	2	125.3143	1.177	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	125.8420	0.601	2	125.8420	0.361	2	125.3143	1.177	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH)	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	127.0915	0.159	2	127.0915	0.025	2	127.0915	0.025	2	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,2|C<3>,2|H<1>}	127.0940	0.122	2	127.0940	0.015	2	126.3372	1.459	14	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	127.0550	0.322	2	127.0550	0.104	2	126.3372	1.459	14	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	127.1680	0.109	2	126.8943	0.231	3	126.3372	1.459	14	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	126.3470	0.000	1	126.8943	0.231	3	126.3372	1.459	14	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	125.6771	1.428	7	125.6771	2.039	7	126.3372	1.459	14	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.5600	0.888	2	125.3780	0.494	3	125.3780	0.494	3	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.0140	0.000	1	125.3780	0.494	3	125.3780	0.494	3	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	126.0060	0.000	1	125.1530	1.034	4	125.1530	1.034	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	124.8687	1.032	3	125.1530	1.034	4	125.1530	1.034	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	128.5790	0.000	1	128.5790	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.5020	0.088	2	124.7600	0.644	9	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1194	0.424	7	124.7600	0.644	9	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.6710	0.018	2	124.6710	0.000	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1875	0.156	2	125.1875	0.024	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	128.0290	0.000	1	128.4420	0.341	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	128.8550	0.000	1	128.4420	0.341	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	130.5970	0.000	1	130.5970	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	124.9218	0.183	8	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.7925	0.738	42	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	124.4880	0.000	1	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.3350	0.000	1	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.6904	0.554	19	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.8131	0.496	10	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	126.1550	0.000	1	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	125.4890	0.000	1	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<3>,2|H<1>}	126.5650	0.000	1	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	124.6366	0.843	7	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.6470	0.000	1	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.7660	0.000	1	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1181	0.769	54	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	125.3640	0.375	3	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	125.0077	1.065	3	124.9301	0.518	153	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.4460	0.000	1	124.4460	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	129.7850	0.000	1	129.7850	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.0550	0.798	12	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	123.9110	0.000	1	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	125.4245	0.286	2	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.9748	0.465	5	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.0790	0.000	1	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.9483	0.501	26	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	124.5430	0.000	1	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.3730	0.000	1	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	125.8160	0.274	2	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1966	0.740	21	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	125.0243	0.890	12	125.0476	0.467	84	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	122.8047	1.579	4	122.8047	2.493	4	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	122.2735	0.774	2	122.2735	0.600	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	128.0690	0.000	1	128.0690	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	128.8950	0.000	1	128.2505	0.831	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	127.6060	0.000	1	128.2505	0.831	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	126.2055	0.490	2	126.2055	0.240	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	124.5170	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	123.9620	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	124.5110	0.305	2	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	124.7368	0.710	5	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.9846	0.642	20	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.7007	0.802	29	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.6660	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.9959	0.801	15	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	124.6365	0.268	2	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	125.8020	0.373	5	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.8450	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	124.1230	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	125.1870	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	125.5662	0.867	4	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	125.7310	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	125.0520	0.843	9	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	125.2485	1.464	24	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<1>,2|O<2>}	126.0210	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	124.5280	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.4204	0.556	5	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	126.2710	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	125.3930	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.2152	0.546	8	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	125.4040	0.303	2	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	124.4340	0.140	3	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	125.8580	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	125.7270	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.9767	0.158	3	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	124.9328	0.643	17	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	124.1268	0.910	4	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	124.4620	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	124.4100	0.000	1	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	124.7263	0.607	6	124.9603	0.753	178	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	122.6065	0.771	4	122.4065	1.395	11	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,2|C<3>,2|H<1>}	121.7150	0.000	1	122.4065	1.395	11	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	124.2650	0.000	1	122.4065	1.395	11	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	122.5265	1.470	2	122.4065	1.395	11	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Sn<4>,2|C<3>,2|H<1>}	120.8285	0.013	2	122.4065	1.395	11	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	123.3550	0.000	1	122.4065	1.395	11	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	125.5350	0.000	1	124.3036	4.570	10	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	122.7625	0.207	2	124.3036	4.570	10	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	123.4380	1.630	3	124.3036	4.570	10	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	128.4990	0.000	1	124.3036	4.570	10	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	124.3877	2.196	3	124.3036	4.570	10	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	124.5394	0.692	5	124.7065	0.923	20	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	125.2965	1.300	2	124.7065	0.923	20	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	124.4022	0.624	4	124.7065	0.923	20	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	124.3750	0.396	2	124.7065	0.923	20	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	123.5085	1.040	2	124.7065	0.923	20	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	125.7743	1.298	3	124.7065	0.923	20	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.0705	0.409	2	124.7065	0.923	20	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	124.7295	0.394	2	123.9899	1.492	12	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	123.4777	1.576	6	123.9899	1.492	12	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	124.3885	0.422	4	123.9899	1.492	12	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	123.9150	0.000	1	123.9150	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	124.2080	2.300	8	124.2080	5.292	8	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	129.3130	0.000	1	129.3130	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	124.4290	0.000	1	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.4562	1.416	4	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.1455	0.890	51	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	126.3320	0.142	5	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,3|H<1>}	126.1188	0.758	4	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	126.5165	1.496	2	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	127.0075	0.186	2	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,3|H<1>}	126.8602	1.058	5	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	125.1570	0.086	2	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	125.9142	1.607	4	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	124.8433	1.930	17	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,3|H<1>}	126.6732	0.962	6	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	126.1103	0.862	12	125.9377	1.587	115	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	128.8050	0.836	2	128.8050	0.699	2	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	123.6890	0.000	1	123.6890	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	127.7757	0.945	3	124.4782	8.088	16	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	122.0448	1.277	4	124.4782	8.088	16	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	123.2387	0.636	6	124.4782	8.088	16	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	129.1175	0.213	2	124.4782	8.088	16	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	122.4780	0.000	1	124.4782	8.088	16	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.9265	1.527	4	123.9265	2.330	4	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	124.4531	0.886	13	124.4531	0.784	13	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	124.3373	1.195	33	124.7523	3.219	43	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	128.4800	1.227	5	124.7523	3.219	43	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	123.7632	0.930	5	124.7523	3.219	43	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	124.8385	1.179	13	124.8385	1.389	13	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	124.2665	1.581	4	124.2665	2.500	4	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	125.3407	0.421	3	124.9317	0.784	7	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	124.6250	1.076	4	124.9317	0.784	7	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	121.8295	0.766	8	122.3066	1.482	10	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	124.2150	0.349	2	122.3066	1.482	10	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	126.8503	0.749	4	127.3021	0.943	8	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	127.7540	1.046	4	127.3021	0.943	8	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	125.2533	0.442	4	125.2533	0.195	4	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	122.7890	0.000	1	122.7890	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	122.1700	0.000	1	122.1700	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<7>,1|C<3>,2|H<1>}	119.1030	0.000	1	119.1030	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	122.3920	0.000	1	122.3920	0.000	1	125.0032	1.988	752	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	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[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,3|C<3>,3|H<1>}	128.2840	0.000	1	128.2840	0.000	1	126.2943	9.712	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,4|C<3>}	129.6190	0.000	1	129.6190	0.000	1	126.2943	9.712	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Pd)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Pd)(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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	123.6120	0.000	1	123.6120	0.000	1	126.2943	9.712	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Rh)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	123.6620	0.000	1	123.6620	0.000	1	126.2943	9.712	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CN[5]HH)	C(N[5]C[5,6a]C[5])2(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CN[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])2(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	125.3718	1.284	6	125.3718	1.649	6	125.3718	1.649	6	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	126.7380	0.000	1	126.7380	0.000	1	126.7380	0.000	1	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.4715	0.278	4	126.4715	0.077	4	126.4715	0.077	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	126.7850	0.000	1	126.7850	0.000	1	126.3237	0.674	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	126.6600	0.000	1	126.6600	0.000	1	126.3237	0.674	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	125.0950	0.000	1	125.0950	0.000	1	126.3237	0.674	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:S-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	126.7550	0.000	1	126.7550	0.000	1	126.3237	0.674	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	125.9900	0.000	1	125.9900	0.000	1	126.4590	0.219	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	126.7040	0.000	1	126.7040	0.000	1	126.4590	0.219	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	126.9910	0.000	1	126.9910	0.000	1	126.4590	0.219	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Se-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	126.1510	0.000	1	126.1510	0.000	1	126.4590	0.219	4	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	126.3070	0.000	1	125.9505	0.254	2	125.9505	0.254	2	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	125.5940	0.000	1	125.9505	0.254	2	125.9505	0.254	2	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH)	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(COO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<4>,1|C<3>,2|H<1>}	128.4010	0.000	1	128.4010	0.000	1	128.4010	0.000	1	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH)	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH){1|Cu<5>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<5>,1|C<3>,2|H<1>}	128.8220	0.000	1	128.8220	0.000	1	128.8220	0.000	1	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CN[5]HH)	C(N[5]C[5,6a]N[5])2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CN[5]HH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,3|H<1>}	129.1985	0.802	4	129.1985	0.643	4	130.1523	1.360	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(CN[5]HH)	C(N[5]C[5,6a]N[5])2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(CN[5]HH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<5>,1|C<3>,3|H<1>}	130.6330	0.522	2	130.6330	0.272	2	130.1523	1.360	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(CN[5]HH)	C(N[5]C[5,6a]N[5])2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(CN[5]HH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,3|H<1>}	129.2385	0.120	2	129.2385	0.014	2	130.1523	1.360	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CN[5]HH)	C(N[5]C[5,6a]N[5])2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CN[5]HH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	131.3225	0.707	4	131.3225	0.500	4	130.1523	1.360	12	125.1383	2.307	952	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	127.6900	0.000	1	127.6900	0.000	1	127.6900	0.000	1	126.3983	1.435	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	124.8630	0.000	1	125.0975	0.110	2	126.2369	1.372	8	126.3983	1.435	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	125.3320	0.000	1	125.0975	0.110	2	126.2369	1.372	8	126.3983	1.435	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]2H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	126.9110	0.881	3	126.9110	0.777	3	126.2369	1.372	8	126.3983	1.435	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]2H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	126.6250	1.847	2	126.6250	3.411	2	126.2369	1.372	8	126.3983	1.435	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]2H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	125.7170	0.000	1	125.7170	0.000	1	126.2369	1.372	8	126.3983	1.435	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.9680	0.000	1	122.9680	0.000	1	124.2966	3.395	11	124.2966	3.395	11	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.4900	0.000	1	124.2717	0.458	4	124.2966	3.395	11	124.2966	3.395	11	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1310	0.000	1	124.2717	0.458	4	124.2966	3.395	11	124.2966	3.395	11	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	123.7330	0.091	2	124.2717	0.458	4	124.2966	3.395	11	124.2966	3.395	11	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	126.1770	0.000	1	124.5347	6.093	6	124.2966	3.395	11	124.2966	3.395	11	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.5870	0.013	2	124.5347	6.093	6	124.2966	3.395	11	124.2966	3.395	11	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	125.4250	0.000	1	124.5347	6.093	6	124.2966	3.395	11	124.2966	3.395	11	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	125.2160	4.296	2	124.5347	6.093	6	124.2966	3.395	11	124.2966	3.395	11	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	121.9960	0.000	1	121.9960	0.000	1	123.1150	1.852	3	123.1150	1.852	3	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	122.7190	0.000	1	122.7190	0.000	1	123.1150	1.852	3	123.1150	1.852	3	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	124.6300	0.000	1	124.6300	0.000	1	123.1150	1.852	3	123.1150	1.852	3	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2: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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	120.8210	0.000	1	120.8210	0.000	1	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	124.8265	0.112	2	124.8265	0.013	2	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.8710	0.000	1	125.8710	0.000	1	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Co<6>,1|N<2>,1|N<3>,2|H<1>}	125.5710	0.000	1	126.0151	0.597	7	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>}	125.3785	1.305	2	126.0151	0.597	7	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	126.4445	0.212	4	126.0151	0.597	7	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	124.6785	0.429	2	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|H<1>,1|O<1>,2|N<3>}	126.7690	0.000	1	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	125.2338	1.644	4	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Re<6>,1|H<1>,1|O<1>,2|N<3>}	126.8140	0.550	2	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Rh<5>,1|H<1>,1|O<1>,2|N<3>}	127.2470	0.000	1	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	125.8070	0.000	1	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<9>,1|H<1>,1|O<1>,2|N<3>}	126.5520	0.000	1	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<1>,2|N<3>}	126.5570	0.000	1	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<2>,2|N<2>}	127.2170	0.000	1	126.0049	1.541	14	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	120.8900	0.000	1	120.8900	0.000	1	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	123.4010	0.000	1	123.4010	0.000	1	125.4374	2.983	27	125.4374	2.983	27	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	C(N[5]C[5,6a]2)(CCCH)(H)2	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]2)(CCCH)(H)2	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,4|C<3>}	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C)	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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	127.3150	0.000	1	127.3150	0.000	1	126.0330	0.803	4	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	125.5700	0.000	1	125.6057	0.110	3	126.0330	0.803	4	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	125.9530	0.000	1	125.6057	0.110	3	126.0330	0.803	4	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<2>,2|C<3>,2|H<1>}	125.2940	0.000	1	125.6057	0.110	3	126.0330	0.803	4	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	C(N[5]C[5,6a]2)(CCCH)(H)2	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C(N[5]C[5,6a]2)(CCCH)(H)2	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	128.0120	0.000	1	128.0120	0.000	1	128.0120	0.000	1	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.3750	0.000	1	123.3750	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.0970	0.319	3	125.2625	0.690	8	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	126.2470	0.000	1	125.2625	0.690	8	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1405	1.082	4	125.2625	0.690	8	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.7712	1.038	6	124.9740	0.601	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	125.4070	0.522	2	124.9740	0.601	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.7510	0.000	1	124.9740	0.601	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.9817	0.539	3	124.9740	0.601	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	125.5250	0.000	1	124.9740	0.601	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.4190	0.000	1	124.4190	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.1820	0.000	1	125.3350	0.047	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	125.4880	0.000	1	125.3350	0.047	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	125.0816	1.328	5	125.0815	1.410	6	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	125.0810	0.000	1	125.0815	1.410	6	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.9710	0.000	1	125.0543	1.151	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	124.5960	1.021	2	125.0543	1.151	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	122.9870	0.000	1	122.9746	0.668	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	122.9725	0.896	6	122.9746	0.668	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	124.0915	0.617	2	122.7488	1.521	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	122.6173	1.475	3	122.7488	1.521	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	122.4624	1.147	8	122.7488	1.521	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	122.4730	0.000	1	122.4730	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	122.9420	0.000	1	122.5575	1.004	15	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	122.5301	1.034	14	122.5575	1.004	15	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	122.7915	0.949	8	122.7915	0.900	8	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	120.7940	0.000	1	120.7940	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	124.1700	0.000	1	124.1700	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	125.7790	0.000	1	125.7790	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	124.9855	0.093	2	124.9855	0.009	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	128.1500	0.000	1	128.1500	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	126.5330	0.000	1	126.5330	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	126.0940	0.000	1	125.2703	0.480	34	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	125.0090	0.000	1	125.2703	0.480	34	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	125.1963	0.659	7	125.2703	0.480	34	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	125.0640	0.256	2	125.2703	0.480	34	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	125.1775	0.746	15	125.2703	0.480	34	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	125.8594	0.732	5	125.2703	0.480	34	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	124.8030	0.014	2	125.2703	0.480	34	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	125.0190	0.000	1	125.2703	0.480	34	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	125.0373	0.484	3	125.2062	0.256	14	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	124.7897	0.187	4	125.2062	0.256	14	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.9413	0.224	3	125.2062	0.256	14	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	125.4005	0.091	2	125.2062	0.256	14	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	124.9955	0.279	2	125.2062	0.256	14	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	126.5420	0.000	1	126.5420	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	126.5655	0.094	2	126.5655	0.009	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	124.6415	0.981	2	124.6415	0.962	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	125.4850	0.349	2	125.4850	0.122	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	121.2520	0.000	1	121.2520	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	124.8065	0.047	2	124.5697	0.169	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	124.0960	0.000	1	124.5697	0.169	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	123.2853	0.313	4	123.2356	0.626	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	123.9880	0.000	1	123.2356	0.626	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	122.7600	1.560	2	123.2356	0.626	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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])(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	120.8100	0.000	1	120.8100	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,2|C<3>,2|H<1>}	124.8475	0.883	2	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	125.1515	0.350	2	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	123.8840	0.798	4	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	124.4860	0.680	2	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	124.3570	0.000	1	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<9>,2|C<3>,2|H<1>}	124.5260	0.000	1	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	124.4863	0.346	3	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	123.7640	0.000	1	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Te<3>,2|C<3>,2|H<1>}	124.0935	0.771	2	124.3777	0.432	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	124.9833	0.475	3	124.6504	2.337	5	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	124.1510	2.840	2	124.6504	2.337	5	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	126.0565	1.609	4	126.0565	2.589	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	123.8820	0.000	1	125.2963	0.994	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	124.9780	0.979	2	125.2963	0.994	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	126.0230	0.000	1	125.2963	0.994	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	125.2310	0.385	2	125.2963	0.994	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.7510	0.000	1	125.2963	0.994	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	125.4253	0.308	4	125.4253	0.095	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|As<1>,1|C<3>,1|C<4>,2|H<1>}	125.7050	0.622	2	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	123.9763	0.491	3	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	125.8399	1.057	8	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	126.4293	0.316	3	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<1>,1|C<3>,1|C<4>,2|H<1>}	125.3280	0.000	1	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	125.9065	0.815	2	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	124.7020	0.142	3	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	125.7465	0.523	2	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	125.5387	0.660	3	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	123.8920	0.000	1	125.4498	0.971	28	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<8>,1|C<3>,1|C<4>,2|H<1>}	125.2920	0.943	2	125.2920	0.890	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	126.8860	0.000	1	126.8860	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	124.5825	0.746	2	124.5825	0.557	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	122.9255	0.822	4	122.9255	0.676	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.8580	0.000	1	121.8580	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	124.7795	0.537	2	124.7795	0.288	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.8910	0.168	2	125.8910	0.028	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	125.9180	0.000	1	126.8550	1.756	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	127.7920	0.000	1	126.8550	1.756	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	127.3290	0.051	2	127.3290	0.003	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.6148	0.503	4	126.6148	0.253	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	126.0270	0.190	2	126.0270	0.036	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.9115	0.925	67	125.9825	0.863	76	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	126.2254	0.882	5	125.9825	0.863	76	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	126.5250	0.000	1	125.9825	0.863	76	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	126.9810	0.795	3	125.9825	0.863	76	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	125.0690	0.000	1	125.0690	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.4010	0.000	1	125.4010	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	125.4620	0.952	4	125.4620	0.906	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.1125	1.059	18	126.1427	1.021	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	126.4145	0.405	2	126.1427	1.021	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.3140	0.205	2	126.0573	0.219	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	125.5440	0.000	1	126.0573	0.219	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	129.7550	0.000	1	129.7550	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.4371	1.151	8	126.5148	1.120	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	126.6783	1.448	6	126.5148	1.120	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	126.2175	0.873	2	126.5148	1.120	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<6>,1|C<3>,3|H<1>}	126.5733	0.351	4	126.5148	1.120	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	126.6240	0.000	1	127.0405	0.347	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	127.4570	0.000	1	127.0405	0.347	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.2105	0.210	4	126.2105	0.044	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.7607	0.590	3	126.4977	0.508	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	125.7090	0.000	1	126.4977	0.508	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.4560	0.279	2	123.4560	0.078	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.8750	0.760	4	123.8750	0.577	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	124.2650	0.000	1	124.2650	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	124.1735	0.060	2	124.5063	0.334	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	125.1720	0.000	1	124.5063	0.334	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	124.8195	1.771	2	124.8195	3.138	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	127.2970	0.000	1	131.8847	15.785	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<9>,1|C<3>,1|C<4>,2|H<1>}	134.1785	0.030	2	131.8847	15.785	3	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	120.6820	5.187	2	120.6820	26.908	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	122.6960	0.778	2	122.6960	0.605	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|N<2>}	120.4430	0.000	1	120.4430	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	124.7910	0.830	12	124.7910	0.688	12	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<7>,1|C<3>,1|C<4>,2|H<1>}	123.7450	0.339	2	123.7450	0.115	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	125.5900	0.986	2	125.5900	0.972	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	118.3550	0.000	1	118.3550	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	126.1852	0.802	4	126.1852	0.643	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	124.0931	0.698	18	124.1349	0.452	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	124.5115	0.066	2	124.1349	0.452	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	124.6865	1.413	6	124.4327	2.115	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	122.9100	0.000	1	124.4327	2.115	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	124.6175	0.579	2	124.6175	0.335	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	123.4790	0.905	2	123.4790	0.819	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	125.9005	0.070	2	125.9005	0.005	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	124.9456	0.951	9	124.9456	0.905	9	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	124.7344	1.530	5	124.7344	2.340	5	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.7818	0.774	4	123.7818	0.599	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	123.6783	0.823	20	123.6783	0.677	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	124.5763	0.326	4	124.5763	0.106	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	125.4590	0.651	2	125.4590	0.423	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	124.1660	0.000	1	124.1660	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	125.1065	0.086	2	125.1065	0.007	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	123.5795	5.204	2	123.5795	27.077	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	121.4010	0.000	1	121.8422	0.764	9	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	121.2035	0.724	4	121.8422	0.764	9	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	122.5913	0.394	4	121.8422	0.764	9	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	123.1975	0.786	2	123.1975	0.617	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	122.3995	0.395	2	122.3995	0.156	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	124.8815	0.182	2	123.6424	3.807	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|Fe<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	124.7710	0.337	2	123.6424	3.807	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	124.8390	0.000	1	123.6424	3.807	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	124.9865	0.252	2	123.6424	3.807	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	121.3612	0.507	5	123.6424	3.807	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	126.4280	0.000	1	123.6424	3.807	13	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	124.8530	0.000	1	124.8530	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,2|H<1>}	124.7750	0.000	1	124.7750	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	126.5690	0.000	1	125.8700	0.977	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,3|H<1>}	125.1710	0.000	1	125.8700	0.977	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	125.2685	0.367	2	124.8287	0.771	6	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	124.6088	1.023	4	124.8287	0.771	6	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	124.2110	0.271	4	124.3788	0.618	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	124.4267	0.883	14	124.3788	0.618	18	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	125.7150	0.000	1	125.7150	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	125.3740	0.000	1	125.3740	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	126.5740	0.164	2	126.2078	0.442	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	125.8415	0.873	2	126.2078	0.442	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	124.4095	0.689	2	124.5822	0.893	6	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	124.6685	1.140	4	124.5822	0.893	6	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	126.6640	0.000	1	126.6640	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	124.4502	0.382	5	124.6035	0.230	11	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	125.6890	0.000	1	124.6035	0.230	11	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cu<4>,1|C<3>,3|H<1>}	124.5396	0.318	5	124.6035	0.230	11	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|P<3>,2|H<1>}	122.1930	0.000	1	122.1930	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,2|H<1>}	123.2810	0.000	1	121.5777	0.908	16	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	122.0810	0.000	1	121.5777	0.908	16	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	121.4201	0.882	14	121.5777	0.908	16	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	122.0140	0.561	3	122.0774	0.334	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	122.0886	0.598	17	122.0774	0.334	20	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	122.9875	2.323	2	122.9875	5.396	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	116.7230	9.318	2	116.7230	86.830	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ir)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,2|H<1>}	124.7910	1.034	2	124.7910	1.069	2	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	124.7870	0.000	1	124.7870	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	121.6328	0.158	4	121.6328	0.025	4	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CPdCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CPdCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,2|H<1>}	124.8220	0.000	1	124.8220	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CRuCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CRuCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,2|H<1>}	124.4890	0.000	1	124.4890	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	123.8360	0.000	1	123.8360	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	122.6600	0.000	1	122.6600	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	122.3780	0.000	1	122.3780	0.000	1	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	120.3236	0.983	7	120.3236	0.966	7	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	121.4430	0.000	1	120.7828	0.778	6	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	120.6508	0.918	5	120.7828	0.778	6	124.5523	3.770	645	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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,6a]-3:C[5,6a]-3:N[5]-3:	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[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	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[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	129.7455	1.494	2	129.7455	2.232	2	129.3161	0.929	8	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH){1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	128.6435	0.392	2	128.6435	0.154	2	129.3161	0.929	8	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH){1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	129.4377	0.964	4	129.4377	0.929	4	129.3161	0.929	8	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	123.3700	0.000	1	122.6160	1.137	2	122.6160	1.137	2	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	121.8620	0.000	1	122.6160	1.137	2	122.6160	1.137	2	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	124.1880	0.000	1	124.1880	0.000	1	125.9560	1.071	8	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	127.2380	0.000	1	127.2380	0.000	1	125.9560	1.071	8	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	126.7090	0.000	1	126.7090	0.000	1	125.9560	1.071	8	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	126.1213	0.576	3	126.1213	0.332	3	125.9560	1.071	8	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	125.5745	1.060	2	125.5745	1.124	2	125.9560	1.071	8	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	125.5150	0.000	1	125.5150	0.000	1	127.8506	6.052	10	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	127.7675	0.886	2	127.7675	0.785	2	127.8506	6.052	10	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	125.7753	1.775	3	125.7753	3.150	3	127.8506	6.052	10	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	130.0325	1.821	4	130.0325	3.317	4	127.8506	6.052	10	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHP)	C(N[5]C[5,6a]C[5])(PC[6a]2Pd)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(PC[6a]2Pd)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	127.8393	0.647	4	127.8393	0.419	4	128.1769	0.522	11	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CHHP)	C(N[5]C[5,6a]C[5])(PC[6a]2Rh)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(PC[6a]2Rh)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	128.5353	0.648	6	128.5353	0.420	6	128.1769	0.522	11	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CHHP)	C(N[5]C[5,6a]C[5])(PC[6a]2Ru)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CHHP){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(PC[6a]2Ru)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	127.3770	0.000	1	127.3770	0.000	1	128.1769	0.522	11	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.5545	0.199	2	126.2182	0.864	4	126.3688	0.762	5	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	126.8820	0.890	2	126.2182	0.864	4	126.3688	0.762	5	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.9710	0.000	1	126.9710	0.000	1	126.3688	0.762	5	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)	C(N[5]C[5,6a]N[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	127.3915	1.957	2	127.3915	3.828	2	126.4830	2.438	6	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]N[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<5>,1|C<3>,1|C<4>,2|H<1>}	126.0288	1.401	4	126.0288	1.962	4	126.4830	2.438	6	124.7642	4.302	700	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	126.2280	0.000	1	126.2280	0.000	1	125.8377	1.565	14	125.8377	1.565	14	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	127.0750	0.000	1	127.0750	0.000	1	125.8377	1.565	14	125.8377	1.565	14	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	126.0450	2.954	2	126.0450	8.728	2	125.8377	1.565	14	125.8377	1.565	14	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	125.8360	2.616	2	125.8360	6.845	2	125.8377	1.565	14	125.8377	1.565	14	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	125.5825	0.610	6	125.5825	0.372	6	125.8377	1.565	14	125.8377	1.565	14	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.1400	0.000	1	126.1400	0.000	1	125.8377	1.565	14	125.8377	1.565	14	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.0280	0.000	1	125.0280	0.000	1	125.8377	1.565	14	125.8377	1.565	14	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	125.6775	0.332	2	125.6775	0.110	2	125.6775	0.110	2	125.6775	0.110	2	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[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[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	126.6390	0.000	1	126.6390	0.000	1	126.6390	0.000	1	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	122.9970	0.000	1	122.9970	0.000	1	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	124.2500	0.000	1	124.2500	0.000	1	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	125.3040	0.194	4	125.3040	0.038	4	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	125.4487	0.269	4	125.4487	0.072	4	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	125.6085	0.585	2	124.5238	2.243	4	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	123.4390	1.297	2	124.5238	2.243	4	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	125.7777	0.377	4	125.2719	0.886	19	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	125.1370	1.008	15	125.2719	0.886	19	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	124.9709	1.683	8	124.9709	2.833	8	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.2400	0.082	2	125.2400	0.007	2	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.0140	0.000	1	125.0140	0.000	1	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	125.5308	1.288	17	125.5308	1.660	17	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	125.5037	1.659	6	125.6419	2.428	7	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	126.4710	0.000	1	125.6419	2.428	7	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	127.1710	0.000	1	127.1710	0.000	1	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	127.1745	2.231	4	127.1745	4.976	4	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	126.3146	0.841	11	126.3146	0.707	11	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	125.7470	1.015	4	125.7470	1.029	4	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	126.8665	1.284	109	126.8665	1.648	109	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.7850	0.047	2	126.7850	0.002	2	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	126.9154	0.471	7	126.9154	0.222	7	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	126.2158	1.101	6	126.2158	1.212	6	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	123.8512	1.027	5	125.2343	5.124	8	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<4>,1|H<1>,2|C<3>}	127.5393	1.753	3	125.2343	5.124	8	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	127.1735	0.281	2	127.0818	0.150	6	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	127.0360	0.464	4	127.0818	0.150	6	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	126.6213	0.710	3	126.5406	0.342	14	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	126.5185	0.584	11	126.5406	0.342	14	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,1|Si<4>,1|C<3>,2|H<1>}	127.1180	0.459	3	126.9463	0.173	15	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,1|Zn<4>,1|C<3>,2|H<1>}	126.9033	0.414	12	126.9463	0.173	15	126.3273	1.915	255	126.3285	1.908	256	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	N[5]-3:C-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCCO)	C(N[5]C[5,6a]N[5])(CH3)2(ORe)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCCO){2|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])(CH3)2(ORe)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	132.7780	0.000	1	132.7780	0.000	1	132.7780	0.000	1	132.7780	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C)	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[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.0920	0.000	1	123.0920	0.000	1	123.0920	0.000	1	123.0920	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	124.9870	0.000	1	124.6020	0.296	2	126.3678	4.414	4	126.3678	4.414	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.2170	0.000	1	124.6020	0.296	2	126.3678	4.414	4	126.3678	4.414	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	127.6460	0.000	1	128.1335	0.475	2	126.3678	4.414	4	126.3678	4.414	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,3|H<1>}	128.6210	0.000	1	128.1335	0.475	2	126.3678	4.414	4	126.3678	4.414	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	123.3490	0.379	2	123.3490	0.144	2	123.3352	2.033	9	123.3352	2.033	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	122.8695	1.323	4	122.8695	1.750	4	123.3352	2.033	9	123.3352	2.033	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	123.9470	2.107	3	123.9470	4.441	3	123.3352	2.033	9	123.3352	2.033	9	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:2:	3:3:1:1:	3:3:3:	C[5,6a]-3:C-4:C[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5])	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	126.4260	0.000	1	126.4260	0.000	1	126.4260	0.000	1	127.7763	0.906	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:2:	3:3:1:1:	3:3:3:	C[5,6a]-3:C-4:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5])	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	128.2263	0.378	3	128.2263	0.143	3	128.2263	0.143	3	127.7763	0.906	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:2:	4:3:1:1:	3:3:3:	C[5,6a]-3:C-4:C[5]-2:	C[6,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5])	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	123.1910	0.000	1	123.1910	0.000	1	123.1910	0.000	1	123.1910	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6a]-3:C-4:C[5]-3:	N[5]-3:C[3x6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	127.5600	0.000	1	127.5600	0.000	1	127.5600	0.000	1	127.5600	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C-4:C[5]-3:	C[6,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	126.0180	1.252	2	126.0180	1.566	2	126.0180	1.566	2	126.0180	1.566	2	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){3|C<3>,4|H<1>}	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	119.3960	0.000	1	119.3960	0.000	1	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	118.4380	0.000	1	118.4380	0.000	1	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	122.8100	1.406	2	122.8100	1.976	2	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Zr)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Zr)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Zr<12>,1|C<3>,2|C<4>,2|H<1>}	125.3690	0.000	1	125.3690	0.000	1	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.7800	0.000	1	122.3527	3.344	9	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	124.2960	0.173	2	122.3527	3.344	9	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.4063	1.696	3	122.3527	3.344	9	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.4515	1.101	2	122.3527	3.344	9	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.6800	0.000	1	122.3527	3.344	9	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.5730	0.000	1	120.5730	0.000	1	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3){1|O<1>,4|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	118.1560	0.000	1	118.1560	0.000	1	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|O<2>}	126.7840	0.000	1	126.7840	0.000	1	122.0888	6.346	17	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|H<1>,3|C<3>}	117.6430	0.000	1	117.6430	0.000	1	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	118.8660	0.000	1	117.1260	6.055	2	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|H<1>,3|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	115.3860	0.000	1	117.1260	6.055	2	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	123.3765	1.444	4	123.0950	1.585	6	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	122.5320	0.849	2	123.0950	1.585	6	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.5443	0.793	3	120.8536	1.716	18	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1780	0.310	4	120.8536	1.716	18	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2387	1.179	10	120.8536	1.716	18	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){3|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.6320	0.000	1	120.8536	1.716	18	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	119.4730	0.000	1	119.4730	0.000	1	120.9036	4.193	28	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3)	C(N[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(F)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	119.3470	0.000	1	122.1105	15.274	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	124.8740	0.000	1	122.1105	15.274	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.1600	0.465	2	119.1600	0.216	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	121.0850	0.000	1	121.0850	0.000	1	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	121.6150	0.000	1	121.2670	0.242	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	120.9190	0.000	1	121.2670	0.242	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	121.1030	0.000	1	121.1030	0.000	1	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	119.4440	0.000	1	119.4440	0.000	1	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	122.3160	0.000	1	122.3160	0.000	1	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.0440	0.000	1	121.3950	5.438	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,3|C<4>}	119.7460	0.000	1	121.3950	5.438	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){1|H<1>,6|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|H<1>,4|C<3>}	123.7130	0.000	1	122.3143	6.794	3	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	121.6150	3.264	2	122.3143	6.794	3	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	116.3990	0.000	1	116.3990	0.000	1	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	125.5480	0.000	1	122.1840	22.633	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,2|F<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	118.8200	0.000	1	122.1840	22.633	2	121.0846	5.899	18	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<2>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	127.3570	0.000	1	127.3570	0.000	1	127.3570	0.000	1	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:P[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.2660	0.774	2	121.2660	0.598	2	121.3990	0.352	3	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:P[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	121.6650	0.000	1	121.6650	0.000	1	121.3990	0.352	3	121.3483	5.528	68	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH){1|O<1>,2|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<1>,2|H<1>,3|C<3>}	125.0710	0.000	1	125.0710	0.000	1	125.0710	0.000	1	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	118.8570	0.000	1	118.8570	0.000	1	122.5891	13.021	8	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	125.2290	0.000	1	126.1705	1.773	2	122.5891	13.021	8	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	127.1120	0.000	1	126.1705	1.773	2	122.5891	13.021	8	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	124.1210	1.744	3	121.9030	11.860	5	122.5891	13.021	8	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	118.5760	2.113	2	121.9030	11.860	5	122.5891	13.021	8	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH)	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.3070	0.000	1	125.3070	0.000	1	125.3070	0.000	1	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH){1|H<1>,3|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	115.0420	0.000	1	115.0420	0.000	1	120.8804	15.930	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.4000	0.000	1	121.4000	0.000	1	120.8804	15.930	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	124.4195	1.104	2	124.4195	1.218	2	120.8804	15.930	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	119.1210	0.000	1	119.1210	0.000	1	120.8804	15.930	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	120.0300	0.000	1	120.0300	0.000	1	122.2998	5.221	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,6|C<3>}	C(N[5]C[5,6a]C[5])(CNO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	125.7930	0.000	1	125.7930	0.000	1	122.2998	5.221	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	122.8810	0.000	1	122.8810	0.000	1	122.2998	5.221	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	120.5130	0.000	1	120.5130	0.000	1	122.2998	5.221	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	122.2820	0.000	1	122.2820	0.000	1	122.2998	5.221	5	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	127.0900	0.000	1	127.0900	0.000	1	125.7155	3.779	2	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	124.3410	0.000	1	124.3410	0.000	1	125.7155	3.779	2	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	120.8280	0.000	1	120.8280	0.000	1	122.0872	2.241	4	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	120.8510	0.000	1	120.8510	0.000	1	122.0872	2.241	4	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	123.3350	0.704	2	123.3350	0.496	2	122.0872	2.241	4	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C-4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	117.6470	0.000	1	117.6470	0.000	1	117.6470	0.000	1	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:P[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH)	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	122.9810	0.583	2	122.9810	0.339	2	122.9810	0.339	2	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	116.9950	0.000	1	116.9950	0.000	1	116.9055	0.016	2	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	116.8160	0.000	1	116.8160	0.000	1	116.9055	0.016	2	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<4>,2|C<3>,3|H<1>}	120.6095	1.966	2	120.6095	3.867	2	119.6550	2.547	4	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	118.7005	0.360	2	118.7005	0.130	2	119.6550	2.547	4	121.7946	10.149	35	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	119.4455	0.904	2	119.4455	0.818	2	119.4455	0.818	2	119.4455	0.818	2	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH)	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<4>,2|C<3>,4|H<1>}	125.9280	0.000	1	125.9280	0.000	1	125.9280	0.000	1	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	125.4550	0.556	2	125.4550	0.309	2	125.4550	0.309	2	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	120.6040	0.000	1	121.5913	1.569	4	122.7256	3.904	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	122.6735	0.056	2	121.5913	1.569	4	122.7256	3.904	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	120.4140	0.000	1	121.5913	1.569	4	122.7256	3.904	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.5300	0.000	1	126.5300	0.000	1	122.7256	3.904	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.3250	0.000	1	122.3250	0.000	1	122.7256	3.904	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	122.2440	0.000	1	122.2440	0.000	1	122.7256	3.904	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.3410	0.000	1	124.3410	0.000	1	122.7256	3.904	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	125.1755	0.252	4	125.1755	0.064	4	123.9376	3.200	7	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5230	0.000	1	120.5230	0.000	1	123.9376	3.200	7	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.3130	0.000	1	123.3130	0.000	1	123.9376	3.200	7	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.0250	0.000	1	123.0250	0.000	1	123.9376	3.200	7	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	126.2270	0.000	1	126.2270	0.000	1	123.9813	3.402	4	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	122.4770	0.000	1	122.4770	0.000	1	123.9813	3.402	4	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.4650	0.000	1	122.4650	0.000	1	123.9813	3.402	4	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH){1|Rh<6>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|O<2>,1|P<4>,3|H<1>}	124.7560	0.000	1	124.7560	0.000	1	123.9813	3.402	4	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<4>,1|C<3>,1|C<4>,2|H<1>}	122.5770	0.567	2	122.8545	0.192	8	122.8545	0.192	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	122.9470	0.404	6	122.8545	0.192	8	122.8545	0.192	8	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	125.7120	0.000	1	125.7120	0.000	1	121.9357	13.711	3	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Co2)(CHHP)	C(N[5]C[5,6a]Ge[5])(PCoCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Co2)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(PCoCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	120.0475	2.456	2	120.0475	6.031	2	121.9357	13.711	3	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.6890	0.422	6	119.6890	0.178	6	120.0931	0.554	19	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	120.8975	0.772	4	120.8975	0.595	4	120.0931	0.554	19	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	119.8580	0.444	3	119.6386	0.194	5	120.0931	0.554	19	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	119.3095	0.146	2	119.6386	0.194	5	120.0931	0.554	19	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	120.7205	1.053	2	120.7205	1.109	2	120.0931	0.554	19	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	120.2050	0.061	2	120.2050	0.004	2	120.0931	0.554	19	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	118.1360	0.326	3	118.1360	0.106	3	118.3786	0.577	5	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	119.6520	0.000	1	118.7425	1.654	2	118.3786	0.577	5	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	117.8330	0.000	1	118.7425	1.654	2	118.3786	0.577	5	121.8322	5.759	57	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.6010	0.000	1	123.6010	0.000	1	123.6010	0.000	1	123.6010	0.000	1	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:5:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	119.6375	0.482	2	119.6475	0.133	6	119.6861	0.084	12	119.6861	0.084	12	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:5:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|C<3>,2|N<3>,3|H<1>}	119.6525	0.379	4	119.6475	0.133	6	119.6861	0.084	12	119.6861	0.084	12	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:5:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	119.7247	0.223	6	119.7247	0.050	6	119.6861	0.084	12	119.6861	0.084	12	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:5:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-5:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.1795	0.643	2	120.1795	0.413	2	120.1795	0.413	2	120.3682	3.616	6	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	3:5:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-5:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Pd2)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Pd)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Pd2)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2Pd)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	120.4625	2.419	4	120.4625	5.854	4	120.4625	5.854	4	120.3682	3.616	6	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Br<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.4120	0.000	1	123.4120	0.000	1	121.9496	3.053	7	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.9490	1.888	4	121.5058	3.655	5	121.9496	3.053	7	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	119.7330	0.000	1	121.5058	3.655	5	121.9496	3.053	7	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3){3|C<3>,3|H<1>,4|C<4>}	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	122.7060	0.000	1	122.7060	0.000	1	121.9496	3.053	7	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5,6a]-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[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.2840	0.000	1	125.2840	0.000	1	123.8909	1.889	7	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5,6a]-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[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	121.0600	0.000	1	123.2870	3.797	3	123.8909	1.889	7	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5,6a]-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[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	124.4005	0.394	2	123.2870	3.797	3	123.8909	1.889	7	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5,6a]-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[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.0303	0.569	3	124.0303	0.324	3	123.8909	1.889	7	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.6000	0.000	1	116.5387	2.110	3	118.9595	8.480	6	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	117.0080	1.703	2	116.5387	2.110	3	118.9595	8.480	6	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.2090	0.000	1	121.9470	1.089	2	118.9595	8.480	6	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.6850	0.000	1	121.9470	1.089	2	118.9595	8.480	6	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	120.2470	0.000	1	120.2470	0.000	1	118.9595	8.480	6	121.7320	7.954	20	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,3|C<3>,4|C<4>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	121.2020	0.000	1	121.2020	0.000	1	120.9135	3.587	4	120.9135	3.587	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	122.5060	0.000	1	122.1320	0.280	2	120.9135	3.587	4	120.9135	3.587	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	121.7580	0.000	1	122.1320	0.280	2	120.9135	3.587	4	120.9135	3.587	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	118.1880	0.000	1	118.1880	0.000	1	120.9135	3.587	4	120.9135	3.587	4	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH)	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH){3|C<3>,3|C<4>,5|H<1>}	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	121.6314	3.197	5	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H)	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	123.5105	0.787	2	123.5105	0.619	2	123.5105	0.619	2	121.6314	3.197	5	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	Si[3x5]-4:C[5,6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H)	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,2|C<4>,2|P<2>,4|C<3>}	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	120.5050	0.552	2	120.5050	0.304	2	120.5050	0.304	2	121.6314	3.197	5	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP2_SP2_SP3	N[5]	C	C[5,6a]	5:3:4:	3:1:1:1:	3:3:3:	P[5,5]-5:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	118.7275	0.360	2	118.7275	0.130	2	118.7275	0.130	2	118.7275	0.130	2	124.7482	4.159	3525	124.7526	4.150	3543
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]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[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	117.5993	3.542	6	117.5993	12.548	6	117.5993	12.548	6	118.7407	16.797	10	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	116.3865	0.712	2	116.3865	0.507	2	116.3865	0.507	2	118.7407	16.797	10	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C){2|H<1>,4|C<3>}	123.4590	0.000	1	123.4590	0.000	1	124.5190	2.247	2	118.7407	16.797	10	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[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[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]N[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	125.5790	0.000	1	125.5790	0.000	1	124.5190	2.247	2	118.7407	16.797	10	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	115.6000	0.000	1	115.6000	0.000	1	119.6110	32.176	2	120.3480	7.107	6	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	123.6220	0.000	1	123.6220	0.000	1	119.6110	32.176	2	120.3480	7.107	6	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	121.0690	0.000	1	121.0690	0.000	1	120.7165	0.576	4	120.3480	7.107	6	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	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[5,6a]-3:C[6a]-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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	120.5990	0.884	3	120.5990	0.781	3	120.7165	0.576	4	120.3480	7.107	6	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	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:	C[5,6a]-3:C[6a]-3:N[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	115.8820	0.331	2	115.8820	0.110	2	115.8820	0.110	2	115.8820	0.110	2	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	121.7280	0.000	1	121.7280	0.000	1	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	117.8890	0.000	1	119.6005	2.056	4	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	120.1710	1.064	3	119.6005	2.056	4	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.1645	1.531	4	120.1645	2.343	4	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.2576	2.193	7	121.4306	4.872	12	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.5245	1.999	4	121.4306	4.872	12	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.2660	0.000	1	121.4306	4.872	12	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.3260	0.000	1	123.1760	1.445	2	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	124.0260	0.000	1	123.1760	1.445	2	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	121.9775	1.249	2	121.4947	1.480	3	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	120.5290	0.000	1	121.4947	1.480	3	121.1073	3.779	26	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	116.6270	0.000	1	117.8463	1.115	3	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	118.4560	0.000	2	117.8463	1.115	3	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	121.9760	0.000	1	120.2070	2.352	3	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.3940	0.000	1	120.2070	2.352	3	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	119.2510	0.000	1	120.2070	2.352	3	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	124.7050	1.328	2	123.2790	6.982	3	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	120.4270	0.000	1	123.2790	6.982	3	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.9130	0.007	2	121.2898	1.501	17	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6480	0.000	1	121.2898	1.501	17	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.1630	0.765	4	121.2898	1.501	17	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2800	1.152	10	121.2898	1.501	17	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	119.0100	0.000	1	119.0100	0.000	1	120.9234	3.748	27	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,4|C<3>}	119.2310	0.000	1	119.2310	0.000	1	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	118.1365	1.279	2	118.1365	1.636	2	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	120.3810	0.000	1	120.3810	0.000	1	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3){1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	121.4470	0.000	1	121.4470	0.000	1	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	120.2600	0.000	1	120.2600	0.000	1	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	119.7260	0.000	1	119.7260	0.000	1	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|C<4>,1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	118.8370	0.000	1	118.8370	0.000	1	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	118.4640	0.368	2	118.4640	0.135	2	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	117.5700	0.000	1	117.5700	0.000	1	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	117.2505	0.811	2	117.2505	0.658	2	118.8580	1.874	13	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	126.2100	0.000	1	126.2100	0.000	1	126.2100	0.000	1	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:P[5,5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]P[5,5])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	121.3100	0.000	1	121.3100	0.000	1	121.3100	0.000	1	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:S[5]-4:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3)	C(N[5]C[5,6a]S[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]S[5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	120.6905	4.342	69	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	116.8380	0.000	1	116.8380	0.000	1	119.6520	4.684	8	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	118.6420	0.000	1	120.4850	6.793	2	119.6520	4.684	8	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	122.3280	0.000	1	120.4850	6.793	2	119.6520	4.684	8	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	122.9710	0.000	1	119.8816	4.106	5	119.6520	4.684	8	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|H<1>,1|N<3>,1|S<1>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	118.1995	1.083	2	119.8816	4.106	5	119.6520	4.684	8	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	120.0190	0.107	2	119.8816	4.106	5	119.6520	4.684	8	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.4203	0.758	3	120.4203	0.574	3	120.1956	0.477	5	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH){1|C<4>,3|C<3>,7|H<1>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	119.8585	0.616	2	119.8585	0.379	2	120.1956	0.477	5	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	118.1590	0.000	1	118.1590	0.000	1	119.5815	2.068	4	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.2880	0.000	1	120.2880	0.000	1	119.5815	2.068	4	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	118.6310	0.000	1	118.6310	0.000	1	119.5815	2.068	4	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	121.2480	0.000	1	121.2480	0.000	1	119.5815	2.068	4	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	120.3270	0.000	1	120.3270	0.000	1	121.5465	2.974	2	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	122.7660	0.000	1	122.7660	0.000	1	121.5465	2.974	2	120.1566	3.285	20	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	119.0920	0.714	2	119.0920	0.510	2	119.0920	0.510	2	119.0920	0.510	2	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	114.9890	0.000	1	114.9890	0.000	1	114.9890	0.000	1	114.9890	0.000	1	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C-4:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	124.5530	1.281	2	124.5530	1.642	2	124.5530	1.642	2	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	124.5660	0.000	1	124.5660	0.000	1	124.0575	0.517	2	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.5490	0.000	1	123.5490	0.000	1	124.0575	0.517	2	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH)	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	125.2900	0.000	1	125.2900	0.000	1	125.2900	0.000	1	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.4093	1.084	3	122.4093	1.176	3	122.1468	0.741	5	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){3|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.5340	0.000	1	121.5340	0.000	1	122.1468	0.741	5	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.9720	0.000	1	121.9720	0.000	1	122.1468	0.741	5	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	121.5410	0.000	1	121.5410	0.000	1	121.5410	0.000	1	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Ge[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	119.4385	0.797	2	119.4385	0.635	2	119.4385	0.635	2	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	118.2030	0.000	1	118.2030	0.000	1	118.2030	0.000	1	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	119.7977	2.583	3	119.7977	6.674	3	119.3248	8.281	13	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]ClRh)(CHHP)	C(N[5]C[5,6a]Si[5])(PRhCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(PRhCC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	123.7280	3.435	2	123.7280	11.800	2	119.3248	8.281	13	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	117.9660	1.886	7	118.0468	3.102	8	119.3248	8.281	13	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:Si[5]-4:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	118.6120	0.000	1	118.0468	3.102	8	119.3248	8.281	13	120.8551	8.576	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH)	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.1790	0.000	1	123.1790	0.000	1	123.1370	0.004	2	123.1370	0.004	2	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.0950	0.000	1	123.0950	0.000	1	123.1370	0.004	2	123.1370	0.004	2	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[3x5]-4:C[5,6a]-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[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[3x5])(H)3	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C)	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C(N[5]C[5,6a]C[3x5])(H)3	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.8320	0.000	1	122.8320	0.000	1	122.8320	0.000	1	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.0058	0.803	4	121.5388	1.255	6	121.5388	1.255	6	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	122.6050	0.966	2	121.5388	1.255	6	121.5388	1.255	6	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5,6a]-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[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	120.1620	0.000	1	120.1620	0.000	1	119.1248	1.008	4	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5,6a]-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[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	118.4855	1.036	2	118.4855	1.073	2	119.1248	1.008	4	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,5]-4:C[5,6a]-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[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.3660	0.000	1	119.3660	0.000	1	119.1248	1.008	4	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6,6]C[5,6a])(H)3	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	117.8220	0.199	2	117.8220	0.040	2	118.1853	2.211	15	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.5780	0.371	2	117.1650	1.245	7	118.1853	2.211	15	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	116.5998	0.660	5	117.1650	1.245	7	118.1853	2.211	15	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,3|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	119.1140	0.000	1	119.1140	0.000	1	118.1853	2.211	15	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.5440	0.000	1	121.5440	0.000	1	118.1853	2.211	15	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	118.9345	0.677	2	119.0233	0.253	3	118.1853	2.211	15	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.2010	0.000	1	119.0233	0.253	3	118.1853	2.211	15	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-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[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Se<2>,2|C<3>,2|H<1>}	119.2520	0.000	1	119.2520	0.000	1	118.1853	2.211	15	119.2714	3.909	27	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	123.2110	0.000	1	123.2110	0.000	1	123.2110	0.000	1	121.3558	5.763	4	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	123.0850	0.000	1	123.0850	0.000	1	123.0850	0.000	1	121.3558	5.763	4	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	121.0520	0.000	1	121.0520	0.000	1	119.5635	4.431	2	121.3558	5.763	4	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<4>,2|H<1>,3|C<3>}	118.0750	0.000	1	118.0750	0.000	1	119.5635	4.431	2	121.3558	5.763	4	120.2862	6.372	173	120.2862	6.372	173
542	490	727	0:SP3_SP2_SP3	N[5]	C	C[5,6a]	5:3:4:	3:4:1:1:	3:3:3:	In[3x5]-5:C[5,6a]-3:C-4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](In[3x5]N[3x5]N[5]2Ni)(C[5,6a]C[5,6a]C[6a])(CHHP)	C(N[5]C[5,6a]In[3x5])(PNiCC)(H)2	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H)	N[5](In[3x5]N[3x5]N[5]2Ni)(C[5,6a]C[5,6a]C[6a])(CHHP){1|H<1>,2|C<4>,6|C<3>}	C(N[5]C[5,6a]In[3x5])(PNiCC)(H)2	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H){1|Ni<4>,2|H<1>,2|N<3>,3|C<3>}	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	120.2862	6.372	173	120.2862	6.372	173