856	490	769	0:SP2_SP2_SP3	N[6]	C	C[4a,6]	3:4:4:	3:1:1:1:	3:3:3:	C[4a,6]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[4a,6]-3:C[4a]-3:N[6]-3:	N[6](C[4a,6]C[4a,6]C[4a])(C[6]C[6]HH)(CH3)	C(N[6]C[4a,6]C[6])(H)3	C[4a,6](C[4a,6]C[4a]N[6])(C[4a]C[4a]O)(N[6]C[6]C)	N[6](C[4a,6]C[4a,6]C[4a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(N[6]C[4a,6]C[6])(H)3	C[4a,6](C[4a,6]C[4a]N[6])(C[4a]C[4a]O)(N[6]C[6]C){1|O<1>,2|C<4>,2|H<1>}	125.5235	0.880	2	125.5235	0.775	2	125.5235	0.775	2	125.5235	0.775	2	125.5235	0.775	2	125.5235	0.775	2
856	490	786	0:SP2_SP3_SP3	N[6]	C	B[5,6]	4:3:4:	3:4:4:1:	3:3:2:2:	B[5,6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:O[5]-2:O[5]-2:	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH)	C(N[6]B[5,6]C[6])(CH3)2(H)	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	C(N[6]B[5,6]C[6])(CH3)2(H)	B[5,6](C[6]B[5]N[6])(N[6]C[6]C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	119.8425	0.136	2	119.8425	0.019	2	119.8425	0.019	2	119.8425	0.019	2	119.8425	0.019	2	119.8425	0.019	2
856	490	813	0:SP2_SP2_SP3	N[6]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	B[5a,6]-3:N[5a,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	C(N[6]B[5a,6]N[5a,6])(H)3	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	C(N[6]B[5a,6]N[5a,6])(H)3	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	114.6360	0.000	1	114.6360	0.000	1	114.6360	0.000	1	114.6360	0.000	1	114.6360	0.000	1	114.6360	0.000	1
856	490	813	0:SP3_SP2_SP3	N[6]	C	N[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	B[5a,6]-3:N[5a,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	B[5a,6]-3:B[5a]-3:N[6]-3:	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	C(N[6]B[5a,6]N[5a,6])(H)3	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C)	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	C(N[6]B[5a,6]N[5a,6])(H)3	N[5a,6](B[5a,6]N[5a]N[6])(B[5a]C[6a]N[5a])(N[6]B[5a,6]C){2|C<3>,2|N<3>,3|C<4>}	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	112.3830	6.711	3	112.3830	6.711	3
856	490	813	0:SP3_SP2_SP3	N[6]	C	N[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,2|N<2>}	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	115.0980	0.000	1	115.0980	0.000	1	115.0980	0.000	1	115.0980	0.000	1	112.3830	6.711	3	112.3830	6.711	3
856	490	813	0:SP3_SP2_SP3	N[6]	C	N[5a,6]	3:4:4:	3:3:1:1:	3:3:3:	N[5a,6]-3:C[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)	C(N[6]N[5a,6]C[6])(CCH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(N[6]N[5a,6]C[6])(CCH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	112.3830	6.711	3	112.3830	6.711	3
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CH3)	C(N[6]C[5,6]2)(H)3	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CH3){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(H)3	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	118.4050	1.229	2	118.4050	1.510	2	118.7260	0.582	6	118.7151	0.486	7	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CH3)	C(N[6]C[5,6]2)(H)3	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	N[6](C[5,6]C[5,6]N[5])2(CH3){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(H)3	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	119.1270	0.223	2	119.1270	0.050	2	118.7260	0.582	6	118.7151	0.486	7	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CH3)	C(N[6]C[5,6]2)(H)3	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CH3){4|Se<2>,1|C<3>}	C(N[6]C[5,6]2)(H)3	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	118.6460	0.901	2	118.6460	0.812	2	118.7260	0.582	6	118.7151	0.486	7	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6]-3:C[5,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CH3)	C(N[6]C[5a,6]C[5,6])(H)3	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5])	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CH3){1|C<3>,4|S<2>}	C(N[6]C[5a,6]C[5,6])(H)3	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	118.6500	0.000	1	118.6500	0.000	1	118.6500	0.000	1	118.7151	0.486	7	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[6,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3)	C(N[6]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C(N[6]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.5180	0.000	1	120.5180	0.000	1	120.5180	0.000	1	120.5180	0.000	1	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:1:1:1:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3)	C(N[6]C[6,6a]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	118.4305	0.499	2	118.4305	0.249	2	118.4305	0.249	2	118.4305	0.249	2	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6,6]-3:C-4:	C[6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	120.6170	0.000	1	120.6170	0.000	1	120.6170	0.000	1	121.5060	1.581	2	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	121.5060	1.581	2	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:1:1:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	119.9735	0.449	2	119.5717	1.183	4	119.5717	1.183	4	119.5717	1.183	4	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:1:1:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	118.0080	0.000	1	119.5717	1.183	4	119.5717	1.183	4	119.5717	1.183	4	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:1:1:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){2|C<4>,4|C<3>}	120.3320	0.000	1	119.5717	1.183	4	119.5717	1.183	4	119.5717	1.183	4	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C){1|O<1>,2|H<1>,3|C<4>}	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){3|H<1>,4|C<4>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.0930	0.000	1	121.0930	0.000	1	121.0930	0.000	1	121.0930	0.000	1	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CCHH)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(CCHH)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	118.4690	0.000	1	118.4690	0.000	1	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CF3)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(CF3)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	118.8305	0.047	2	118.8305	0.002	2	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Br<1>,1|C<3>,1|N<2>}	118.6615	0.254	2	119.0680	0.239	6	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|C<4>,1|N<2>}	119.3185	0.429	2	119.0680	0.239	6	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	119.2240	0.665	2	119.0680	0.239	6	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	119.0825	0.120	4	119.1356	0.025	5	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	119.3480	0.000	1	119.1356	0.025	5	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Br<1>,1|C<3>,1|N<2>}	118.2740	0.000	1	118.4403	0.035	8	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<2>}	118.4650	0.005	4	118.4403	0.035	8	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|I<1>,1|N<2>}	118.1500	0.000	1	118.4403	0.035	8	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	C(N[6]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	118.6190	0.259	2	118.4403	0.035	8	118.8063	0.175	22	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6]-3:C[5,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CCHH)	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5])	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CCHH){1|C<3>,4|S<2>}	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	118.8104	0.168	23	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6,6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH)	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	120.8410	0.000	1	120.8410	0.000	1	120.8410	0.000	1	121.6190	1.059	3	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH)	C(N[6]C[5,6]C[6])(CH3)(H)2	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6]C[5,6]C[6])(CH3)(H)2	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	122.0080	1.100	2	122.0080	1.211	2	122.0080	1.211	2	121.6190	1.059	3	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH)	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,4|C<4>}	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<4>,1|O<1>,6|H<1>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:4:4:	3:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CH3)	C(N[6]C[5,6]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(N[6]C[5,6]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C){1|C<4>,8|H<1>}	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:4:4:	3:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C){1|C<4>,8|H<1>}	122.2630	0.000	1	122.2630	0.000	1	122.2630	0.000	1	122.2630	0.000	1	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP2_SP2_SP3	N[6]	C	C[5,6]	3:4:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(N[6]C[6]C){1|O<1>,2|C<4>,4|H<1>}	126.3605	0.593	2	126.3605	0.352	2	126.3605	0.352	2	126.3605	0.352	2	119.6510	3.303	49	119.6510	3.303	49
856	490	818	0:SP3_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]Se[5]N[6])(C[5]C[5]C)(N[6]C[6]C)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH){1|Se<2>,1|N<3>,1|S<2>,2|C<3>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]Se[5]N[6])(C[5]C[5]C)(N[6]C[6]C){1|C<4>,3|C<3>}	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	117.9367	12.714	3	117.9367	12.714	3
856	490	818	0:SP3_SP2_SP3	N[6]	C	C[5,6]	3:3:4:	3:3:1:1:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	117.9367	12.714	3	117.9367	12.714	3
856	490	818	0:SP3_SP2_SP3	N[6]	C	C[5,6]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[6]-4:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C)	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	117.9367	12.714	3	117.9367	12.714	3
856	490	849	0:SP2_SP3_SP3	N[6,6]	C	P[3x6]	4:4:4:	3:1:1:1:	3:3:3:2:	C[6,6]-4:P[3x6]-4:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:N-2:	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	C(N[6,6]C[6,6]P[3x6])(H)3	P[3x6](N[6,6]C[6,6]C)3(NC[6])	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	C(N[6,6]C[6,6]P[3x6])(H)3	P[3x6](N[6,6]C[6,6]C)3(NC[6]){1|C<4>,6|H<1>}	125.0393	0.784	3	125.0393	0.614	3	125.0393	0.614	3	125.0393	0.614	3	125.0393	0.614	3	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6,6]	C	P[6,6]	5:4:4:	3:4:1:1:	3:3:3:1:	P[5,6,6]-5:P[6,6]-4:C-4:	N[6,6]-3:C-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:O-1:	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH)	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	P[6,6](N[6,6]P[5,6,6]C)(N[6]P[6]C)2(O)	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH){2|C<3>,2|P<3>,4|C<4>}	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	P[6,6](N[6,6]P[5,6,6]C)(N[6]P[6]C)2(O){2|N<3>,4|O<2>}	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	116.3790	0.000	1	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6,6]	4:3:4:	3:1:1:1:	3:2:3:1:	P[6,6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6,6]-2:N[6]-3:S-1:	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)(CH3)	C(N[6]P[6,6]C[6])(H)3	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S)	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)(CH3){1|P<4>,2|C<3>}	C(N[6]P[6,6]C[6])(H)3	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6]C)(S){1|C<4>,1|H<1>,1|N<2>,1|S<1>,3|C<3>}	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	119.9026	5.133	5	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8670	0.000	1	120.8670	0.000	1	121.7200	1.455	2	121.7200	1.455	2	119.9026	5.133	5	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	122.5730	0.000	1	122.5730	0.000	1	121.7200	1.455	2	121.7200	1.455	2	119.9026	5.133	5	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|H<1>}	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	119.9026	5.133	5	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:4:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:C-4:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	C(N[6]P[6,6]C[6])(CH3)2(H)	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(CH3)2(H)	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	119.9026	5.133	5	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:2:4:	3:4:4:4:	3:3:3:1:	P[6]-4:S[6]-2:C-4:	N[6]-3:C-4:C-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:O-1:	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	C(N[6]P[6]S[6])(CH3)3	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O)	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	C(N[6]P[6]S[6])(CH3)3	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O){1|S<2>,2|C<3>,2|H<1>}	123.9530	0.000	1	123.9530	0.000	1	123.9530	0.000	1	123.9530	0.000	1	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:3:4:	3:3:1:1:	3:3:2:1:	P[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-2:O-1:	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O)	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O){1|H<1>,4|C<3>}	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:3:4:	3:4:1:1:	3:2:3:1:	P[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-3:Se-1:	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH)	C(N[6]C[6]P[6])(CClHH)(H)2	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(Se)	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH){4|C<3>}	C(N[6]C[6]P[6])(CClHH)(H)2	P[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(Se){1|O<1>,2|H<1>,4|C<3>}	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:3:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se){1|Se<1>,1|N<3>,2|O<2>}	120.6810	0.000	1	120.6810	0.000	1	120.6810	0.000	1	120.6810	0.000	1	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:1:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6](P[6]N[6]Cl2)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(Cl)2	N[6](P[6]N[6]Cl2)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(Cl)2{4|Cl<1>,1|N<2>}	118.9980	0.396	2	118.9980	0.157	2	118.9980	0.157	2	118.9980	0.157	2	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:2:2:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-2:N-2:	N[6](P[6]N[6]NN)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	118.1080	0.984	2	118.1080	0.969	2	118.1080	0.969	2	118.1080	0.969	2	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:3:2:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:N-2:	N[6](P[6]N[6]NN)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6]){1|N<2>,4|N<3>}	117.0400	0.000	2	117.0400	0.000	2	117.0400	0.000	2	117.0400	0.000	2	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:3:3:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N[6](P[6]N[6]NN)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{1|N<2>,4|N<3>}	115.9610	0.000	2	114.5375	2.702	4	114.9417	2.013	6	114.9417	2.013	6	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:3:3:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N[6](P[6]N[6]NN)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|N<2>,3|N<3>}	113.1140	0.000	2	114.5375	2.702	4	114.9417	2.013	6	114.9417	2.013	6	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:3:3:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N[6](P[6]N[6]NN)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]Li)(NC[6]H)	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]Li)(NC[6]H){1|N<2>,4|N<3>}	115.7500	0.000	2	115.7500	0.000	2	114.9417	2.013	6	114.9417	2.013	6	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:3:4:1:	2:3:2:1:	C[6]-4:P[6]-4:C-4:	C[6a]-3:N[6]-3:C-4:H-1:	O[6]-2:N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH){4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O){1|H<1>,3|C<3>}	121.2650	0.000	1	121.2650	0.000	1	121.2650	0.000	1	121.2650	0.000	1	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:3:4:1:	2:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6a]-3:N[6]-3:C-4:H-1:	O[6]-2:N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O){1|H<1>,3|C<3>}	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:S-1:	N[6](P[6]N[6]OS)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6])(S)	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6])(S){1|N<3>,2|O<2>,2|S<1>}	118.4200	0.000	1	118.4200	0.000	1	117.5835	1.399	2	118.7493	4.008	8	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:S-1:	N[6](P[6]N[6]OS)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(S)	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(S){1|N<3>,2|O<2>,2|S<1>}	116.7470	0.000	1	116.7470	0.000	1	117.5835	1.399	2	118.7493	4.008	8	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)2(CCHH){1|P<3>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se){1|Se<1>,1|N<3>,2|O<2>}	121.3470	0.557	2	119.1378	4.606	6	119.1378	4.606	6	118.7493	4.008	8	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP2_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)2(CCHH){1|P<4>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se){2|Se<1>,1|N<3>,2|O<2>}	118.0332	1.641	4	119.1378	4.606	6	119.1378	4.606	6	118.7493	4.008	8	118.1729	6.591	26	118.9573	9.548	35
856	490	849	0:SP3_SP3_SP3	N[6,6]	C	P[3x6]	4:4:4:	3:1:1:1:	3:3:3:2:	C[6,6]-4:P[3x6]-4:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:N-2:	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	C(N[6,6]C[6,6]P[3x6])(H)3	P[3x6](N[6,6]C[6,6]C)3(NC[6])	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	C(N[6,6]C[6,6]P[3x6])(H)3	P[3x6](N[6,6]C[6,6]C)3(NC[6]){1|C<4>,6|H<1>}	118.5007	1.940	6	118.5007	3.762	6	119.5882	6.325	9	119.5882	6.325	9	119.6279	5.553	12	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6,6]	C	P[3x6]	4:4:4:	3:1:1:1:	3:3:3:2:	C[6,6]-4:P[3x6]-4:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:N-2:	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	C(N[6,6]C[6,6]P[3x6])(H)3	P[3x6](N[6,6]C[6,6]C)3(NS)	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	C(N[6,6]C[6,6]P[3x6])(H)3	P[3x6](N[6,6]C[6,6]C)3(NS){1|C<4>,6|H<1>}	121.7633	2.291	3	121.7633	5.250	3	119.5882	6.325	9	119.5882	6.325	9	119.6279	5.553	12	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6,6]	C	P[3x6]	4:4:4:	3:1:1:1:	3:3:3:4:	C[6,6]-4:P[3x6]-4:C-4:	N[6,6]-3:H-1:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:B-4:	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3)	C(N[6,6]C[6,6]P[3x6])(H)3	P[3x6](N[6,6]C[6,6]C)3(BH3)	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3){1|B<4>,4|C<4>}	C(N[6,6]C[6,6]P[3x6])(H)3	P[3x6](N[6,6]C[6,6]C)3(BH3){1|P<4>,6|H<1>}	119.7470	2.283	3	119.7470	5.210	3	119.7470	5.210	3	119.7470	5.210	3	119.6279	5.553	12	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:3:4:	3:4:1:1:	3:3:3:1:	P[6,6]-4:P[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:O-1:	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH)	C(N[6]P[6,6]P[6])(CH3)(H)2	P[6,6](N[6,6]P[5,6,6]C)(N[6]P[6]C)2(O)	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH){1|P<3>,1|P<5>,3|C<4>}	C(N[6]P[6,6]P[6])(CH3)(H)2	P[6,6](N[6,6]P[5,6,6]C)(N[6]P[6]C)2(O){2|N<3>,4|O<2>}	120.7470	0.000	1	120.7470	0.000	1	120.7470	0.000	1	120.7470	0.000	1	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:1:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3)	C(N[6]P[6,6]C[6])(H)3	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(H)3	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	117.7470	0.601	2	117.7470	0.361	2	117.7470	0.361	2	117.7470	0.361	2	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:1:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6]){2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	116.8342	3.145	4	116.8342	9.888	4	116.8342	9.888	4	116.8342	9.888	4	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:1:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	113.4000	0.000	1	114.9387	1.776	3	114.9387	1.776	3	114.9387	1.776	3	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:1:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	115.7080	0.000	2	114.9387	1.776	3	114.9387	1.776	3	114.9387	1.776	3	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:1:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|P<4>,3|H<1>}	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	114.8524	0.461	7	114.8524	0.213	7	116.0345	9.385	10	116.0345	9.385	10	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:1:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]C)2(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]C)2(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	115.9410	1.339	2	115.9410	1.794	2	116.0345	9.385	10	116.0345	9.385	10	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:1:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|P<4>}	C(N[6]P[6,6]C[6])(H)3	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	124.4960	0.000	1	124.4960	0.000	1	116.0345	9.385	10	116.0345	9.385	10	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:3:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	115.6365	0.919	2	115.6365	0.844	2	115.6365	0.844	2	115.6365	0.844	2	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:3:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{1|N<2>,2|C<3>,2|H<1>,4|N<3>}	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:3:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](N[6]C[6]C)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](N[6]C[6]C)(N[6]P[6])2(O[6]C[6]){1|C<4>,1|N<2>,4|H<1>,4|N<3>}	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:3:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](N[6]C[6]C)2(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](N[6]C[6]C)2(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	114.8470	1.789	2	117.6418	18.581	4	117.6418	18.581	4	117.6418	18.581	4	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:3:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](N[6]C[6]C)2(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	P[6,6](N[6]C[6]C)2(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	120.4365	4.615	2	117.6418	18.581	4	117.6418	18.581	4	117.6418	18.581	4	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	116.7760	1.511	3	116.7760	2.283	3	116.9230	1.609	4	116.9230	1.609	4	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	117.3640	0.000	1	117.3640	0.000	1	116.9230	1.609	4	116.9230	1.609	4	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:2:3:3:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N[6]-3:N[6]-3:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H)	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>,4|O<2>}	113.4755	0.631	2	113.4755	0.399	2	113.4755	0.399	2	113.4755	0.399	2	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|H<1>}	114.3690	0.000	1	114.3690	0.000	1	114.3690	0.000	1	118.1370	28.396	2	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CH3)(H)2	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(CH3)(H)2	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	121.9050	0.000	1	121.9050	0.000	1	121.9050	0.000	1	118.1370	28.396	2	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CH3)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(CH3)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6]){2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	116.2013	1.887	8	116.2013	3.563	8	116.2013	3.563	8	115.9504	4.284	12	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	2:3:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[5]-4:H-1:H-1:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH)	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH){2|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6]){2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	115.4488	2.625	4	115.4488	6.890	4	115.4488	6.890	4	115.9504	4.284	12	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|Cl<1>,1|C<4>,2|C<3>,2|N<2>,4|H<1>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	117.7037	1.417	3	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C[5]-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH)	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	117.1150	0.868	2	117.1150	0.754	2	117.1150	0.754	2	117.7037	1.417	3	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	119.2510	0.000	1	116.8806	18.654	9	116.8806	18.654	9	116.8806	18.654	9	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	113.4875	0.175	2	116.8806	18.654	9	116.8806	18.654	9	116.8806	18.654	9	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|O<2>}	112.9820	0.000	1	116.8806	18.654	9	116.8806	18.654	9	116.8806	18.654	9	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	114.8950	3.130	2	116.8806	18.654	9	116.8806	18.654	9	116.8806	18.654	9	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:1:1:	3:3:2:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	C(N[6]P[6,6]C[6])(CCHH)(H)2	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	120.9757	4.322	3	116.8806	18.654	9	116.8806	18.654	9	116.8806	18.654	9	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6,6]	4:4:4:	3:4:4:1:	2:2:3:2:	P[6,6]-4:C[6]-4:C-4:	N[6]-3:C-4:C-4:H-1:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	C(N[6]P[6,6]C[6])(CH3)2(H)	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	C(N[6]P[6,6]C[6])(CH3)2(H)	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	118.6030	0.000	1	118.6030	0.000	1	118.6030	0.000	1	118.6030	0.000	1	116.5905	8.276	61	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:2:4:	3:4:4:4:	3:3:3:1:	P[6]-4:S[6]-2:C-4:	N[6]-3:C-4:C-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:O-1:	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	C(N[6]P[6]S[6])(CH3)3	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O)	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	C(N[6]P[6]S[6])(CH3)3	P[6](C[6a]C[6a]2)(N[6]S[6]C)2(O){1|S<2>,2|C<3>,2|H<1>}	129.3050	0.000	1	129.3050	0.000	1	129.3050	0.000	1	129.3050	0.000	1	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:3:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se){1|Se<1>,1|N<3>,2|O<2>}	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:2:2:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-2:N-2:	N[6](P[6]N[6]NN)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{2|Cl<1>,3|N<2>}	117.9030	1.665	2	117.3127	1.822	4	117.3127	1.822	4	117.3127	1.822	4	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:2:2:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-2:N-2:	N[6](P[6]N[6]NN)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	116.7225	1.141	2	117.3127	1.822	4	117.3127	1.822	4	117.3127	1.822	4	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:2:3:3:	P[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N[6](P[6]N[6]NN)2(CH3)	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	C(N[6]P[6]2)(H)3	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	114.6930	0.642	2	114.6930	0.412	2	114.6930	0.412	2	114.6930	0.412	2	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:1:1:1:	3:3:2:2:	C[6]-4:P[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N-2:N-2:	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CH3)	C(N[6]C[6]P[6])(H)3	P[6](N[6]C[6]C)2(NP)2	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CH3){2|C<4>,2|H<1>}	C(N[6]C[6]P[6])(H)3	P[6](N[6]C[6]C)2(NP)2{1|C<4>,4|H<1>}	114.7910	1.400	3	114.7910	1.960	3	114.7910	1.960	3	114.7910	1.960	3	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:3:1:1:	3:3:2:2:	C[6]-4:P[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:N-2:	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	P[6](N[6]C[6]C)2(NP)2	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH){2|C<4>,2|H<1>}	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	P[6](N[6]C[6]C)2(NP)2{1|C<4>,4|H<1>}	118.7314	2.101	5	118.7314	4.413	5	118.7314	4.413	5	118.7314	4.413	5	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:3:4:1:	2:3:2:1:	C[6]-4:P[6]-4:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	O[6]-2:N[6]-3:O-2:O-1:	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O)	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH){2|C<3>}	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O){2|C<3>,2|H<1>}	120.3520	0.000	1	120.3520	0.000	1	120.3520	0.000	1	120.3520	0.000	1	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:3:4:1:	2:3:4:1:	C[6]-4:P[6]-4:C-4:	C[6a]-3:N[6]-3:C-4:H-1:	O[6]-2:N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O){1|H<1>,3|C<3>}	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	120.6032	1.273	5	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:3:4:1:	2:3:4:1:	C[6]-4:P[6]-4:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	O[6]-2:N[6]-3:C-4:O-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	P[6](O[6]C[6,6a])(N[6]C[6]C)(CClHH)(O){1|H<1>,3|C<3>}	120.2865	1.014	4	120.2865	1.029	4	120.2865	1.029	4	120.6032	1.273	5	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	2:3:2:2:	C[6]-4:P[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-3:N-2:N-2:	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH)	C(N[6]C[6]P[6])(CCHH)(H)2	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP)	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH){2|C<3>}	C(N[6]C[6]P[6])(CCHH)(H)2	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP){2|C<3>,2|H<1>}	122.9900	0.000	1	122.9900	0.000	1	122.9900	0.000	1	122.9900	0.000	1	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	3:2:2:2:	C[6]-4:P[6]-4:C-4:	N[6]-3:C[5]-4:H-1:H-1:	N[6]-3:O[6]-2:N-2:N-2:	N[6](C[6]C[6]HH)(P[6]O[6]NN)(CC[5]HH)	C(N[6]C[6]P[6])(C[5]C[5]2Fe)(H)2	P[6](N[6]C[6]C)(O[6]C[6])(NP)2	N[6](C[6]C[6]HH)(P[6]O[6]NN)(CC[5]HH){1|C<4>,2|H<1>}	C(N[6]C[6]P[6])(C[5]C[5]2Fe)(H)2	P[6](N[6]C[6]C)(O[6]C[6])(NP)2{1|C<4>,4|H<1>}	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:S-1:	N[6](P[6]N[6]OS)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6])(S)	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6])(S){1|N<3>,2|O<2>,2|S<1>}	122.4630	0.000	1	122.4630	0.000	1	118.1153	9.066	4	117.0442	12.111	6	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:S-1:	N[6](P[6]N[6]OS)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(S)	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(S){1|N<3>,2|O<2>,2|S<1>}	116.6660	0.998	3	116.6660	0.997	3	118.1153	9.066	4	117.0442	12.111	6	118.3633	12.340	30	117.4607	10.220	103
856	490	849	0:SP3_SP3_SP3	N[6]	C	P[6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[6]-4:P[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O-2:Se-1:	N[6](P[6]N[6]SeO)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se)	N[6](P[6]N[6]SeO)2(CCHH){1|P<4>,2|C<4>}	C(N[6]P[6]2)(CH3)(H)2	P[6](N[6]P[6]C)2(OC[6a])(Se){2|Se<1>,1|N<3>,2|O<2>}	114.9020	4.426	2	114.9020	19.594	2	114.9020	19.594	2	117.0442	12.111	6	118.3633	12.340	30	117.4607	10.220	103
856	490	855	0:SP2_SP3_SPD6	N[6]	C	Si[3x6]	3:6:4:	3:4:1:1:	3:3:3:2:2:2:	C[6,6a]-3:Si[3x6]-6:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3{9|C<3>}	118.9720	2.041	3	118.9720	4.167	3	118.9720	4.167	3	118.9720	4.167	3	118.9720	4.167	3	118.5546	2.278	8
856	490	855	0:SP2_SP3_SPD6	N[6]	C	Si[6,6]	6:3:4:	3:1:1:1:	3:2:2:3:3:2:	Si[6,6]-6:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	C(N[6]Si[6,6]C[6])(H)3	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	C(N[6]Si[6,6]C[6])(H)3	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	117.2000	0.701	2	117.2000	0.492	2	117.2000	0.492	2	117.2000	0.492	2	118.3042	1.694	5	118.5546	2.278	8
856	490	855	0:SP2_SP3_SPD6	N[6]	C	Si[6,6]	6:3:4:	3:3:1:1:	3:3:2:2:2:2:	Si[6,6]-6:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	119.6370	0.287	2	119.6370	0.082	2	119.6370	0.082	2	119.6370	0.082	2	118.3042	1.694	5	118.5546	2.278	8
856	490	855	0:SP2_SP3_SPD6	N[6]	C	Si[6,6]	6:3:4:	3:4:4:1:	3:3:2:2:2:2:	Si[6,6]-6:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	C(N[6]Si[6,6]C[6])(CH3)2(H)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]Si[6,6]C[6])(CH3)2(H)	Si[6,6](N[6]C[6]C)2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>}	117.8470	0.000	1	117.8470	0.000	1	117.8470	0.000	1	117.8470	0.000	1	118.3042	1.694	5	118.5546	2.278	8
856	490	856	0:SP2_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|O<1>,2|C<4>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	116.0198	5.190	8	116.0198	5.190	8
856	490	856	0:SP2_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|N<2>}	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	116.0198	5.190	8	116.0198	5.190	8
856	490	856	0:SP2_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:3:4:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	116.0198	5.190	8	116.0198	5.190	8
856	490	856	0:SP2_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	116.0198	5.190	8	116.0198	5.190	8
856	490	856	0:SP2_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	116.0198	5.190	8	116.0198	5.190	8
856	490	856	0:SP2_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:4:2:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)	C(N[6]C[6]N[6])(CCHH)(OC)(H)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(N[6]C[6]N[6])(CCHH)(OC)(H)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	116.0198	5.190	8	116.0198	5.190	8
856	490	856	0:SP2_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH)	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	117.6600	0.000	1	117.6600	0.000	1	117.6600	0.000	1	117.6600	0.000	1	116.0198	5.190	8	116.0198	5.190	8
856	490	856	0:SP2_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:4:4:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	114.9630	0.000	1	114.9630	0.000	1	114.9630	0.000	1	114.9630	0.000	1	116.0198	5.190	8	116.0198	5.190	8
856	490	856	0:SP2_SP3_SP3	N[6,6]	C	N[6,6]	3:4:4:	3:4:4:4:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6]-3:C-4:C-4:C-4:	C[3x6]-4:C[6a]-3:N[6,6]-3:	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C){2|C<4>,4|C<3>,5|H<1>}	124.6710	0.000	1	124.6710	0.000	1	124.6710	0.000	1	123.7470	0.824	3	123.7470	0.824	3	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6,6]	C	N[6,6]	3:4:4:	3:4:4:4:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6]-3:C-4:C-4:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	123.2850	0.607	2	123.2850	0.368	2	123.2850	0.368	2	123.7470	0.824	3	123.7470	0.824	3	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH)	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH){1|N<3>,1|O<1>,2|C<3>}	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,3|N<3>}	114.1690	0.895	2	114.1690	0.801	2	113.9269	1.330	16	114.0318	1.435	17	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	115.2990	0.385	2	115.2990	0.148	2	113.9269	1.330	16	114.0318	1.435	17	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.9220	0.150	4	114.9220	0.023	4	113.9269	1.330	16	114.0318	1.435	17	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	112.1575	0.431	2	112.1575	0.185	2	113.9269	1.330	16	114.0318	1.435	17	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	113.2980	1.069	2	113.3152	0.481	6	113.9269	1.330	16	114.0318	1.435	17	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	113.1115	0.773	2	113.3152	0.481	6	113.9269	1.330	16	114.0318	1.435	17	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|N<2>}	113.5360	0.694	2	113.3152	0.481	6	113.9269	1.330	16	114.0318	1.435	17	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP2_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:H-1:	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<3>,3|O<1>}	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	114.0318	1.435	17	114.2679	2.353	18	115.6220	13.635	21
856	490	856	0:SP3_SP2_SP3	N[6,6]	C	N[6,6]	3:4:4:	3:4:4:4:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6]-3:C-4:C-4:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	110.5620	0.000	1	116.7450	76.459	2	116.7450	76.459	2	116.7450	76.459	2	116.7450	76.459	2	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6,6]	C	N[6,6]	3:4:4:	3:4:4:4:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6]-3:C-4:C-4:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	122.9280	0.000	1	116.7450	76.459	2	116.7450	76.459	2	116.7450	76.459	2	116.7450	76.459	2	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3)	C(N[6]C[5a,6]N[6])(H)3	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H)	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	C(N[6]C[5a,6]N[6])(H)3	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:3:4:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	3:3:4:	3:3:4:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH){1|N<3>,1|O<1>,2|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	110.1600	0.089	2	110.1600	0.008	2	110.0900	0.019	3	110.0900	0.019	3	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|C<3>,1|C<4>,1|H<1>}	109.9500	0.000	1	109.9500	0.000	1	110.0900	0.019	3	110.0900	0.019	3	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:N[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	109.7900	0.089	2	109.7900	0.008	2	109.6440	0.841	4	109.6440	0.841	4	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:N[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]O[6]S)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]O[6]S)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	109.4980	1.558	2	109.4980	2.429	2	109.6440	0.841	4	109.6440	0.841	4	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:N[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|H<1>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	111.2505	2.577	2	111.2505	6.643	2	111.2505	6.643	2	111.2505	6.643	2	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP2_SP3	N[6]	C	N[6]	4:3:4:	3:4:4:1:	3:3:3:	C[6]-4:N[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.8329	3.524	13	111.6212	12.810	15
856	490	856	0:SP3_SP3_SP3	N[6,6]	C	N[6,6]	3:4:4:	3:4:4:4:	4:3:3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6]-3:C-4:C-4:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	C(N[6,6]C[3x6]N[6,6])(CH3)3	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	116.7480	7.811	2	116.7480	61.007	2	116.7480	61.007	2	116.7480	61.007	2	116.7480	61.007	2	112.6810	16.731	11
856	490	856	0:SP3_SP3_SP3	N[6]	C	N[6,6]	3:4:4:	3:1:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	C(N[6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(N[6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	110.1270	0.306	3	110.1270	0.094	3	110.1270	0.094	3	110.1270	0.094	3	110.1270	0.094	3	112.6810	16.731	11
856	490	856	0:SP3_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:1:1:1:	3:3:4:	P[6]-3:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	P[6]-3:N[6]-3:C-4:	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3)	C(N[6]N[6]P[6])(H)3	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3)	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(N[6]N[6]P[6])(H)3	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	114.4945	0.086	2	114.4945	0.007	2	114.4945	0.007	2	114.4945	0.007	2	112.6023	10.686	6	112.6810	16.731	11
856	490	856	0:SP3_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	B[6]-4:C[6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH){1|N<3>,6|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|N<2>,2|H<1>,8|C<3>}	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	112.6023	10.686	6	112.6810	16.731	11
856	490	856	0:SP3_SP3_SP3	N[6]	C	N[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|N<3>}	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	112.6023	10.686	6	112.6810	16.731	11
856	490	856	0:SP3_SP3_SP3	N[6]	C	N[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]HH)(N[6]C[6]C)(H)	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3){1|N<3>,3|H<1>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	108.4555	0.032	2	108.4555	0.001	2	108.4555	0.001	2	108.4555	0.001	2	112.6023	10.686	6	112.6810	16.731	11
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[3x6]	4:3:4:	3:4:4:1:	4:4:2:3:	B[3x6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H[6]-2:N[6]-3:	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH)	C(N[6]B[3x6]C[6])(CH3)2(H)	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C)	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH){1|B<4>,2|H<1>,5|C<4>}	C(N[6]B[3x6]C[6])(CH3)2(H)	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C){1|N<3>,2|C<4>,9|H<1>}	123.5225	0.316	2	123.5225	0.100	2	123.5225	0.100	2	123.5225	0.100	2	124.4493	1.946	6	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[3x6]	4:3:4:	3:4:4:1:	4:4:3:2:	B[3x6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	C(N[6]B[3x6]C[6])(CH3)2(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){1|C<3>,2|H<1>,5|C<4>}	C(N[6]B[3x6]C[6])(CH3)2(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,9|H<1>}	125.2480	2.430	2	124.9128	2.351	4	124.9128	2.351	4	124.9128	2.351	4	124.4493	1.946	6	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[3x6]	4:3:4:	3:4:4:1:	4:4:3:2:	B[3x6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	C(N[6]B[3x6]C[6])(CH3)2(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){2|H<1>,6|C<4>}	C(N[6]B[3x6]C[6])(CH3)2(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){11|H<1>,1|N<3>,2|C<4>}	124.5775	0.837	2	124.9128	2.351	4	124.9128	2.351	4	124.9128	2.351	4	124.4493	1.946	6	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6,6]	3:4:4:	3:1:1:1:	3:3:3:3:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	C(N[6]C[6,6a]B[6,6])(H)3	B[6,6](N[6]C[6,6a]C)4	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(H)3	B[6,6](N[6]C[6,6a]C)4{6|C<3>}	115.6675	0.198	4	115.6675	0.039	4	115.6675	0.039	4	115.6675	0.039	4	116.3838	0.605	38	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6,6]	3:4:4:	3:3:1:1:	3:3:2:2:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	116.3838	0.605	38	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6,6]	3:4:4:	3:4:1:1:	2:2:3:2:	C[6]-3:B[6,6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:O[6]-2:N[6]-3:O[6]-2:	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH)	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6])	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH){1|B<3>,1|B<4>,2|C<3>}	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	B[6,6](O[6]C[6,6a])(O[6]B[6,6])(N[6]C[6]C)(O[6]B[6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	118.8630	0.812	2	118.8630	0.659	2	118.8630	0.659	2	118.8630	0.659	2	116.3838	0.605	38	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6,6]	3:4:4:	3:4:1:1:	3:3:2:2:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	116.3326	0.311	8	116.3326	0.097	8	116.3479	0.232	30	116.3347	0.229	31	116.3838	0.605	38	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6,6]	3:4:4:	3:4:1:1:	3:3:2:2:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	116.3535	0.536	22	116.3535	0.287	22	116.3479	0.232	30	116.3347	0.229	31	116.3838	0.605	38	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6,6]	3:4:4:	3:4:1:1:	3:3:2:2:	C[6,6a]-3:B[6,6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	116.3347	0.229	31	116.3838	0.605	38	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	3:4:4:	3:1:1:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3)	C(N[6]B[6]C[6])(H)3	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3){1|H<1>,2|C<4>}	C(N[6]B[6]C[6])(H)3	B[6](O[6]C[4,6])(N[6]C[6]C)(F)2{1|C<3>,3|C<4>}	116.7813	1.274	3	116.7813	1.623	3	117.1815	1.723	4	117.1815	1.723	4	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	3:4:4:	3:1:1:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3)	C(N[6]B[6]C[6])(H)3	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3){2|C<3>}	C(N[6]B[6]C[6])(H)3	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	118.3820	0.000	1	118.3820	0.000	1	117.1815	1.723	4	117.1815	1.723	4	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	3:4:4:	3:3:1:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH){2|C<3>}	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	3:4:4:	3:3:4:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	N[6]-3:C[6a]-3:C-4:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH){2|C<3>}	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	118.6950	0.250	2	118.6950	0.063	2	118.6950	0.063	2	118.6950	0.063	2	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	3:4:4:	3:4:1:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	C(N[6]B[6]C[6])(CCHH)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	C(N[6]B[6]C[6])(CCHH)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	118.9560	0.000	1	118.9560	0.000	1	119.1260	0.136	8	119.1260	0.136	8	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	3:4:4:	3:4:1:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	C(N[6]B[6]C[6])(CHHN)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	C(N[6]B[6]C[6])(CHHN)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	119.2022	0.402	6	119.2022	0.162	6	119.1260	0.136	8	119.1260	0.136	8	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	3:4:4:	3:4:1:1:	2:3:1:1:	C[6]-3:B[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-3:F-1:F-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	C(N[6]B[6]C[6])(CN[6]HH)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(F)2{1|H<1>,2|C<3>}	118.8390	0.000	1	118.8390	0.000	1	119.1260	0.136	8	119.1260	0.136	8	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	3:4:4:	3:4:1:1:	2:3:2:2:	C[6]-3:B[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-3:O-2:O-2:	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH){2|C<3>}	C(N[6]B[6]C[6])(CN[6]HH)(H)2	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2{1|H<1>,2|C<3>}	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:1:1:1:	3:3:1:1:	B[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3)	C(N[6]B[6]C[6])(H)3	B[6](N[6]C[6]C)2(F)2	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6]B[6]C[6])(H)3	B[6](N[6]C[6]C)2(F)2{1|C<3>,2|C<4>}	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:1:1:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	C(N[6]B[6]C[6])(H)3	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	C(N[6]B[6]C[6])(H)3	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	119.9930	0.000	1	119.6023	0.120	3	119.6023	0.120	3	119.6023	0.120	3	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:1:1:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	C(N[6]B[6]C[6])(H)3	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	C(N[6]B[6]C[6])(H)3	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){2|C<4>,4|H<1>,5|C<3>}	119.4070	0.107	2	119.6023	0.120	3	119.6023	0.120	3	119.6023	0.120	3	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:3:1:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:3:1:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH)	C(N[6]B[6]C[6])(CCH)(H)2	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C(N[6]B[6]C[6])(CCH)(H)2	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,5|C<3>}	119.4170	0.540	2	119.4170	0.292	2	119.4170	0.292	2	119.9300	0.450	4	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:3:1:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,5|C<3>}	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,5|C<3>}	120.4430	0.079	2	120.4430	0.006	2	120.4430	0.006	2	119.9300	0.450	4	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:3:1:1:	4:2:3:1:	B[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	117.6880	0.000	1	117.6880	0.000	1	117.8615	0.060	2	117.8615	0.060	2	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:3:1:1:	4:2:3:1:	B[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	118.0350	0.000	1	118.0350	0.000	1	117.8615	0.060	2	117.8615	0.060	2	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:1:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	C(N[6]B[6]C[6])(CCHO)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	C(N[6]B[6]C[6])(CCHO)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB){1|C<4>,2|H<1>,4|C<3>}	113.6000	0.000	1	113.6000	0.000	1	116.4404	7.246	8	116.4404	7.246	8	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:1:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	C(N[6]B[6]C[6])(CHHO)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	C(N[6]B[6]C[6])(CHHO)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB){1|C<4>,2|H<1>,4|C<3>}	112.5960	0.000	1	112.5960	0.000	1	116.4404	7.246	8	116.4404	7.246	8	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:1:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	C(N[6]B[6]C[6])(CN[6]HH)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	115.0405	0.182	2	115.0405	0.033	2	116.4404	7.246	8	116.4404	7.246	8	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:1:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	C(N[6]B[6]C[6])(CCHH)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	C(N[6]B[6]C[6])(CCHH)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){3|H<1>,4|C<3>}	118.8750	1.189	2	118.8750	1.415	2	116.4404	7.246	8	116.4404	7.246	8	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:1:1:	3:2:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	C(N[6]B[6]C[6])(CN[6]HH)(H)2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|F<1>,2|H<1>,4|C<3>}	118.7480	0.041	2	118.7480	0.002	2	116.4404	7.246	8	116.4404	7.246	8	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:3:1:	3:3:2:3:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:O[6]-2:N[6]-3:	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH)	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH){6|C<3>}	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	B[6](C[6a]C[6a]2)2(O[6]C[6,6a])(N[6]C[6]C){5|H<1>,6|C<3>}	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:1:	3:3:1:1:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	B[6](N[6]C[6]C)2(F)2	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(N[6]B[6]C[6])(CH3)2(H)	B[6](N[6]C[6]C)2(F)2{1|C<3>,2|C<4>}	119.6210	0.000	1	119.6210	0.000	1	119.6210	0.000	1	119.6210	0.000	1	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:1:	3:3:3:1:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:F-1:	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F)	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH){1|C<4>,4|C<3>}	C(N[6]B[6]C[6])(CH3)2(H)	B[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(F){1|H<1>,1|N<3>,3|F<1>,4|C<3>}	118.6035	2.963	4	118.6035	8.781	4	118.6035	8.781	4	118.6035	8.781	4	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:1:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-2:	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){1|C<4>,5|C<3>}	C(N[6]B[6]C[6])(CH3)2(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>,4|F<1>}	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:1:	3:3:3:3:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){2|C<4>,5|C<3>}	C(N[6]B[6]C[6])(CH3)2(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>,4|F<1>}	120.9160	0.000	1	120.9160	0.000	1	118.2530	14.183	2	118.2530	14.183	2	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:1:	3:3:3:3:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH){2|C<4>,5|C<3>}	C(N[6]B[6]C[6])(CH3)2(H)	B[6](C[6a]C[6a]2)2(N[6]C[6]C)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>,4|F<1>}	115.5900	0.000	1	115.5900	0.000	1	118.2530	14.183	2	118.2530	14.183	2	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP2_SP3_SP3	N[6]	C	B[6]	4:3:4:	3:4:4:4:	3:3:3:2:	B[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3)	C(N[6]B[6]C[6])(CH3)3	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3){2|C<4>,4|C<3>}	C(N[6]B[6]C[6])(CH3)3	B[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,2|H<1>,4|F<1>,5|C<3>}	125.6930	0.000	1	125.6930	0.000	1	125.6930	0.000	1	125.6930	0.000	1	118.5961	5.358	45	118.0461	7.188	89
856	490	874	0:SP3_SP3_SP3	N[6]	C	B[6]	4:4:4:	3:4:4:4:	4:3:1:1:	B[6]-4:C[6]-4:C-4:	N[6]-3:C-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3){1|C<4>,4|H<1>}	C(N[6]B[6]C[6])(CH3)3	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1
856	490	882	0:SP2_SP3_SP3	N[6,6]	C	P[4,6,6]	3:3:4:	3:4:4:4:	3:3:3:	As[6,6]-3:P[4,6,6]-3:C-4:	N[6,6]-3:C-4:C-4:C-4:	N[4,6]-3:N[4,6]-3:N[6,6]-3:	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3)	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	P[4,6,6](N[4,6]P[4,6,6]C)2(N[6,6]As[6,6]C)	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3){1|P<3>,2|C<3>,3|C<4>}	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	P[4,6,6](N[4,6]P[4,6,6]C)2(N[6,6]As[6,6]C){1|C<3>,1|N<3>}	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1
856	490	882	0:SP3_SP3_SP3	N[6,6]	C	P[4,6,6]	3:3:4:	3:4:4:4:	3:3:3:	As[6,6]-3:P[4,6,6]-3:C-4:	N[6,6]-3:C-4:C-4:C-4:	N[4,6]-3:N[4,6]-3:N[6,6]-3:	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3)	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	P[4,6,6](N[4,6]P[4,6,6]C)2(N[6,6]As[6,6]C)	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3){1|P<3>,2|C<3>,3|C<4>}	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	P[4,6,6](N[4,6]P[4,6,6]C)2(N[6,6]As[6,6]C){1|C<3>,1|N<3>}	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1
856	490	904	0:SP2_SP-NON_SP3	N[6]	C	P[6]	4:2:4:	3:4:4:4:	3:3:	C[6]-4:P[6]-2:C-4:	N[6]-3:C-4:C-4:C-4:	N[6]-3:N[6]-3:	N[6](C[6]C[6]HH)(P[6]N[6])(CC3)	C(N[6]C[6]P[6])(CH3)3	P[6](N[6]C[6]C)2	N[6](C[6]C[6]HH)(P[6]N[6])(CC3){2|C<4>,2|H<1>}	C(N[6]C[6]P[6])(CH3)3	P[6](N[6]C[6]C)2{1|C<4>,4|H<1>}	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1
856	490	904	0:SP3_SP-NON_SP3	N[6]	C	P[6]	4:2:4:	3:4:4:4:	3:3:	C[6]-4:P[6]-2:C-4:	N[6]-3:C-4:C-4:C-4:	N[6]-3:N[6]-3:	N[6](C[6]C[6]HH)(P[6]N[6])(CC3)	C(N[6]C[6]P[6])(CH3)3	P[6](N[6]C[6]C)2	N[6](C[6]C[6]HH)(P[6]N[6])(CC3){2|C<4>,2|H<1>}	C(N[6]C[6]P[6])(CH3)3	P[6](N[6]C[6]C)2{1|C<4>,4|H<1>}	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	2:3:4:	3:1:1:1:	3:3:	N[6]-2:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:N[6]-3:	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[5,6]C[5,6]O[5])(N[6]C[6]C)	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>}	C(N[6]C[6]N[6])(H)3	N[6](C[5,6]C[5,6]O[5])(N[6]C[6]C){1|H<1>,1|O<1>,3|C<4>}	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	2:3:4:	3:4:1:1:	3:3:	N[6]-2:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-3:N[6]-3:	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH)	C(N[6]C[6]N[6])(CClHH)(H)2	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]C)	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]N[6])(CClHH)(H)2	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	112.9540	0.000	1	112.9540	0.000	1	112.9540	0.000	1	112.9540	0.000	1	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a,6]C[6a])(N[6]C[6]C)	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3){1|N<2>,2|C<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a,6]C[6a])(N[6]C[6]C){2|N<2>,3|C<3>}	114.0930	0.000	1	114.0930	0.000	1	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5]N[6])(N[6]C[6]C){1|Mn<6>,1|O<1>,3|N<3>}	115.1580	0.000	1	115.2290	0.010	2	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5]N[6])(N[6]C[6]C){1|Ni<6>,1|O<1>,3|N<3>}	115.3000	0.000	1	115.2290	0.010	2	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a]N[6])(N[6]C[6]C){1|N<2>,1|O<1>,2|N<3>}	115.8290	0.438	4	115.8290	0.191	4	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Cu<4>,1|C<3>,1|O<1>,2|N<3>}	115.7705	1.247	2	116.1997	1.330	3	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Pd<4>,1|C<3>,1|O<1>,2|N<3>}	117.0580	0.000	1	116.1997	1.330	3	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	115.9505	0.431	2	115.9505	0.185	2	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]C)(N[6]C[6]C){1|Co<6>,1|N<3>,1|O<1>}	115.9635	0.445	2	116.1593	0.131	8	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]C)(N[6]C[6]C){1|Fe<6>,1|N<3>,1|O<1>}	116.2900	0.318	4	116.1593	0.131	8	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]C)(N[6]C[6]C){1|Ni<6>,1|N<3>,1|O<1>}	116.0935	0.515	2	116.1593	0.131	8	115.8821	0.492	20	115.8821	0.492	20	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:1:1:	3:3:	C[6,6a]-3:N[6]-2:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C(N[6]C[6,6a]N[6])(CH3)(H)2	N[6](N[6]C[6,6a]C)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]N[6])(CH3)(H)2	N[6](N[6]C[6,6a]C)(C[6]C[6]C){1|O<2>,2|C<3>}	113.7175	0.472	2	113.7175	0.222	2	113.7175	0.222	2	113.3153	1.007	4	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]H)(N[6]C[6])(CCHH)	C(N[6]C[6]N[6])(CH3)(H)2	N[6](C[6]C[5]C[6])(N[6]C[6]C)	N[6](C[6]C[6]H)(N[6]C[6])(CCHH){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(CH3)(H)2	N[6](C[6]C[5]C[6])(N[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	113.9500	0.000	1	113.9500	0.000	1	112.9130	2.151	2	113.3153	1.007	4	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]Pd)(N[6]C[6])(CCHH)	C(N[6]C[6]N[6])(CH3)(H)2	N[6](C[6]C[6]Cl)(N[6]C[6]C)	N[6](C[6]C[6]Pd)(N[6]C[6])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	C(N[6]C[6]N[6])(CH3)(H)2	N[6](C[6]C[6]Cl)(N[6]C[6]C){1|Pd<4>,1|C<3>,1|H<1>}	111.8760	0.000	1	111.8760	0.000	1	112.9130	2.151	2	113.3153	1.007	4	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]Ir)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	N[6](C[6]C[6,6a]Ir)(N[6]C[6])(CCCH){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|Ir<6>,2|C<3>}	110.8060	0.000	1	110.8060	0.000	1	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CCCH){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|Rh<6>,2|C<3>}	110.6970	0.000	1	110.6970	0.000	1	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[5]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[5]N[6])(N[6]C[6]C){1|Pd<4>,1|O<1>,3|N<3>}	116.0270	0.000	1	115.9645	0.008	2	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[5]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[5]N[6])(N[6]C[6]C){1|Pt<4>,1|O<1>,3|N<3>}	115.9020	0.000	1	115.9645	0.008	2	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Cu<4>,1|C<3>,1|O<1>,2|N<3>}	116.3260	0.000	1	115.3458	1.452	10	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Pd<4>,1|C<3>,1|O<1>,2|N<3>}	114.8777	1.583	3	115.3458	1.452	10	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Pt<4>,1|C<3>,1|O<1>,2|N<3>}	116.4010	0.000	1	115.3458	1.452	10	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<3>,2|C<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Fe<6>,1|C<3>,1|O<1>,2|N<3>}	115.7497	1.210	3	115.3458	1.452	10	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<3>,2|C<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|Pd<4>,1|C<3>,1|O<1>,2|N<3>}	114.4245	0.453	2	115.3458	1.452	10	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	114.7980	0.057	2	115.1394	0.560	28	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<2>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>}	115.1984	0.748	24	115.1394	0.560	28	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	113.8570	0.000	1	115.1394	0.560	28	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|Pd<4>,1|N<3>,1|O<1>,2|C<3>}	115.6880	0.000	1	115.1394	0.560	28	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]C)(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<2>,2|C<4>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]C)(N[6]C[6]C){1|N<3>,1|O<1>}	115.2040	0.188	2	115.2040	0.035	2	115.0273	1.581	44	115.0273	1.581	44	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:4:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:C-4:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CC3)	C(N[6]C[6]N[6])(CH3)3	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CC3){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(CH3)3	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|Rh<6>,2|C<3>}	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:4:2:	3:3:1:1:	3:3:	C[6]-3:C-4:N[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a]C[6])(N[6]C[6]C)	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a]C[6])(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:4:2:	3:3:3:1:	3:3:	C[6]-3:C-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]Ir)(CC[6a]2H)(N[6]C[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	N[6](C[6]C[6,6a]Ir)(CC[6a]2H)(N[6]C[6]){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|Ir<6>,2|C<3>}	112.2180	0.000	1	112.2180	0.000	1	112.1870	0.002	2	112.1870	0.002	2	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	3:4:2:	3:3:3:1:	3:3:	C[6]-3:C-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]Rh)(CC[6a]2H)(N[6]C[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	N[6](C[6]C[6,6a]Rh)(CC[6a]2H)(N[6]C[6]){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|Rh<6>,2|C<3>}	112.1560	0.000	1	112.1560	0.000	1	112.1870	0.002	2	112.1870	0.002	2	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	4:4:2:	3:3:1:1:	2:3:	C[6]-4:C-4:N[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-2:N[6]-3:	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](N[6]C[5a,6])(N[6]C[6]C)	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](N[6]C[5a,6])(N[6]C[6]C){1|H<1>,3|C<3>}	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	4:4:2:	3:3:1:1:	3:2:	C[5,6]-4:C-4:N[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-2:	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6])	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	N[6](N[6]C[5,6]C)(N[6]C[5,6])	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	N[6](N[6]C[5,6]C)(N[6]C[5,6]){1|C<3>,4|C<4>}	114.6475	0.501	2	114.6475	0.251	2	114.6475	0.251	2	114.8270	0.426	4	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	4:4:2:	3:3:1:1:	3:2:	C[6]-4:C-4:N[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](N[6]C[6]C)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){1|C<4>,2|C<3>,2|H<1>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](N[6]C[6]C)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	114.3360	0.000	1	115.0065	0.899	2	115.0065	0.899	2	114.8270	0.426	4	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP2_SP2_SP3	N[6]	C	N[6]	4:4:2:	3:3:1:1:	3:2:	C[6]-4:C-4:N[6]-2:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](N[6]C[6]C)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](N[6]C[6]C)(N[6]C[6]){1|H<1>,3|C<3>}	115.6770	0.000	1	115.0065	0.899	2	115.0065	0.899	2	114.8270	0.426	4	114.8563	2.728	79	114.8563	2.728	79
856	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	111.8756	7.417	5	111.8756	7.417	5
856	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	3:2:4:	3:4:4:1:	3:3:	C[6]-3:N[6]-2:C-4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	111.8756	7.417	5	111.8756	7.417	5
856	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	4:2:4:	3:1:1:1:	3:3:	C[6,6]-4:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])(CH3)	C(N[6]C[6,6]N[6])(H)3	N[6](C[6]C[6,6]C[6a])(N[6]C[6,6]C)	N[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])(CH3){1|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6]N[6])(H)3	N[6](C[6]C[6,6]C[6a])(N[6]C[6,6]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	111.2545	8.246	2	111.8756	7.417	5	111.8756	7.417	5
856	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	4:2:4:	3:1:1:1:	3:3:	C[6]-4:N[6]-2:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6,6a]H)(N[6]C[6]C)	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3){1|H<1>,2|C<3>}	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6,6a]H)(N[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	113.2850	0.000	1	113.2850	0.000	1	113.2850	0.000	1	111.2545	8.246	2	111.8756	7.417	5	111.8756	7.417	5
856	490	914	0:SP3_SP2_SP3	N[6]	C	N[6]	4:2:4:	3:4:1:1:	3:3:	C[6]-4:N[6]-2:C-4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH)	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	N[6](C[6]C[6a]O[6])(N[6]C[6]C)	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	N[6](C[6]C[6a]O[6])(N[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	111.8756	7.417	5	111.8756	7.417	5
856	490	916	0:SP3_SP3_SP3	N[6]	C	O[5,6]	3:4:4:	3:1:1:1:	5:4:3:	O[5,6]-3:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	In[5,5,6,6]-5:Ga[5]-4:N[6]-3:	N[6](O[5,6]In[5,5,6,6]Ga[5])(C[6]C[6]HH)(CH3)	C(N[6]O[5,6]C[6])(H)3	O[5,6](In[5,5,6,6]N[5,6]2O[5,6]C)(Ga[5]O[5]CC)(N[6]C[6]C)	N[6](O[5,6]In[5,5,6,6]Ga[5])(C[6]C[6]HH)(CH3){1|O<2>,1|O<3>,2|H<1>,2|N<4>,3|C<4>}	C(N[6]O[5,6]C[6])(H)3	O[5,6](In[5,5,6,6]N[5,6]2O[5,6]C)(Ga[5]O[5]CC)(N[6]C[6]C){1|Ga<4>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	109.6270	1.482	2	109.6270	2.197	2	109.6270	2.197	2	109.6270	2.197	2	109.6270	2.197	2	109.6270	2.197	2
856	490	928	0:SP2_SP3_SPD6	N[6]	C	Si[5,6,6]	6:3:4:	3:1:1:1:	3:3:2:2:3:3:	Si[5,6,6]-6:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3)	C(N[6]Si[5,6,6]C[6])(H)3	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3){3|C<4>,8|C<3>}	C(N[6]Si[5,6,6]C[6])(H)3	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	118.3610	0.718	4	118.3610	0.515	4	118.3610	0.515	4	118.3610	0.515	4	118.3610	0.515	4	118.3610	0.515	4
856	490	943	0:SP2_SP-NON_SP3	N[6]	C	Ga[6]	3:4:4:	3:4:1:1:	2:3:4:4:	C[6]-3:Ga[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	O[6]-2:N[6]-3:C-4:C-4:	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH)	C(N[6]Ga[6]C[6])(CCHH)(H)2	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH){2|C<3>}	C(N[6]Ga[6]C[6])(CCHH)(H)2	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2{1|H<1>,2|C<3>}	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	118.3875	5.545	4	118.3875	5.545	4
856	490	943	0:SP2_SP-NON_SP3	N[6]	C	Ga[6]	4:3:4:	3:1:1:1:	3:3:4:4:	Ga[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3)	C(N[6]Ga[6]C[6])(H)3	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	C(N[6]Ga[6]C[6])(H)3	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2{1|Ga<4>,1|C<4>,1|H<1>}	115.0330	0.000	1	115.0330	0.000	1	115.0330	0.000	1	115.0330	0.000	1	118.3875	5.545	4	118.3875	5.545	4
856	490	943	0:SP2_SP-NON_SP3	N[6]	C	Ga[6]	4:3:4:	3:4:4:1:	3:2:1:1:	Ga[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:O[6]-2:Cl-1:Cl-1:	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH)	C(N[6]Ga[6]C[6])(CH3)2(H)	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	C(N[6]Ga[6]C[6])(CH3)2(H)	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2{1|C<3>,2|C<4>}	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	118.3875	5.545	4	118.3875	5.545	4
856	490	943	0:SP2_SP-NON_SP3	N[6]	C	Ga[6]	4:3:4:	3:4:4:1:	3:2:3:3:	Ga[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:O[6]-2:N-3:N-3:	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH)	C(N[6]Ga[6]C[6])(CH3)2(H)	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	C(N[6]Ga[6]C[6])(CH3)2(H)	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2{1|C<3>,2|C<4>}	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	118.3875	5.545	4	118.3875	5.545	4
856	490	955	0:SP2_SP3_SP3	N[6]	C	P[5,6]	4:3:4:	3:4:1:1:	3:3:2:1:	P[5,6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	N[5,6]-3:N[6]-3:O[5]-2:S-1:	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH)	C(N[6]P[5,6]C[6])(CH3)(H)2	P[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6]C)(O[5]C[5])(S)	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH){2|C<3>,2|C<4>}	C(N[6]P[5,6]C[6])(CH3)(H)2	P[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6]C)(O[5]C[5])(S){1|O<1>,2|C<3>,4|H<1>}	119.0350	0.000	1	119.0350	0.000	1	119.0350	0.000	1	119.0350	0.000	1	119.0350	0.000	1	119.0350	0.000	1
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	117.3622	1.885	6	117.3622	3.552	6	117.3622	3.552	6	117.5685	4.261	10	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[6,6]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[6,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	117.5685	4.261	10	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|O<1>,1|O<2>,3|C<3>}	114.5860	0.000	1	114.5860	0.000	1	114.5860	0.000	1	117.5685	4.261	10	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	118.0450	0.556	2	118.0450	0.309	2	118.0450	0.309	2	117.5685	4.261	10	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Br<1>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2{1|O<1>,2|C<3>}	120.0120	0.000	1	120.0120	0.000	1	119.3746	2.280	18	119.3746	2.280	18	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Cl<1>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2{1|O<1>,2|C<3>}	120.0910	0.000	1	120.0910	0.000	1	119.3746	2.280	18	119.3746	2.280	18	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]ClH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|Cl<1>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]ClH)(O)2{1|N<2>,2|C<3>}	120.4538	1.077	6	120.4538	1.160	6	119.3746	2.280	18	119.3746	2.280	18	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|N<2>,2|C<3>}	118.4928	1.617	8	118.5916	2.103	10	119.3746	2.280	18	119.3746	2.280	18	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|O<1>,2|C<3>}	118.9870	0.485	2	118.5916	2.103	10	119.3746	2.280	18	119.3746	2.280	18	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCH)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(CCH)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|C<4>,2|C<3>}	121.4000	0.000	1	120.7207	1.474	3	120.7207	1.474	3	120.7207	1.474	3	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCH)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(CCH)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	120.3810	1.502	2	120.7207	1.474	3	120.7207	1.474	3	120.7207	1.474	3	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,4|C<3>}	120.6755	0.650	2	120.6755	0.422	2	120.6755	0.422	2	119.8588	2.655	4	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<1>,2|C<3>}	117.4810	0.000	1	119.0420	4.873	2	119.0420	4.873	2	119.8588	2.655	4	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	120.6030	0.000	1	119.0420	4.873	2	119.0420	4.873	2	119.8588	2.655	4	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Br<1>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2{1|O<1>,2|C<3>}	121.0830	0.000	1	121.0830	0.000	1	119.7300	1.099	6	119.7300	1.099	6	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Cl<1>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2{1|O<1>,2|C<3>}	119.9260	0.000	1	119.9260	0.000	1	119.7300	1.099	6	119.7300	1.099	6	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|N<2>,2|C<3>}	120.1895	0.368	2	119.3427	1.008	4	119.7300	1.099	6	119.7300	1.099	6	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(CH3)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|O<1>,2|C<3>}	118.4960	0.144	2	119.3427	1.008	4	119.7300	1.099	6	119.7300	1.099	6	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	4:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]S[6])(CCHH)(H)2	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:4:1:	3:3:1:1:	C[6]-3:S[6]-4:C-4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH)	C(N[6]C[6]S[6])(CH3)2(H)	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH){1|H<1>,2|C<3>}	C(N[6]C[6]S[6])(CH3)2(H)	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2{1|O<1>,2|C<3>}	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:2:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:O-1:O-1:	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](N[6]C[6]C)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3){2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,2|C<4>}	115.2925	0.644	2	115.2925	0.415	2	115.2925	0.415	2	115.2925	0.415	2	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	116.5679	0.857	7	116.4911	0.511	10	116.4911	0.511	10	116.8456	0.924	49	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	116.3120	0.171	3	116.4911	0.511	10	116.4911	0.511	10	116.8456	0.924	49	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|H<1>,3|C<3>}	118.0660	0.000	1	116.8060	0.817	33	116.9364	1.005	39	116.8456	0.924	49	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	116.8767	0.828	15	116.8060	0.817	33	116.9364	1.005	39	116.8456	0.924	49	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	116.6695	0.954	17	116.8060	0.817	33	116.9364	1.005	39	116.8456	0.924	49	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|O<1>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2{4|C<3>}	116.8190	0.076	2	116.8190	0.006	2	116.9364	1.005	39	116.8456	0.924	49	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	117.0905	1.527	2	117.0905	2.331	2	116.9364	1.005	39	116.8456	0.924	49	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	119.0525	0.315	2	119.0525	0.099	2	116.9364	1.005	39	116.8456	0.924	49	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:2:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C[5a]-3:H-1:H-1:	N[6]-3:N[6]-2:O-1:O-1:	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH)	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	S[6](N[6]C[6]C)(N[6]C[6])(O)2	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH){2|C<3>}	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	S[6](N[6]C[6]C)(N[6]C[6])(O)2{1|C<3>,1|C<4>,1|H<1>}	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CCO)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CCO)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	119.8340	0.000	1	119.8340	0.000	1	120.1860	0.248	2	119.4082	1.167	4	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CC[6a]O)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	120.5380	0.000	1	120.5380	0.000	1	120.1860	0.248	2	119.4082	1.167	4	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|H<1>,3|C<3>}	119.2760	0.000	1	119.2760	0.000	1	118.6305	0.833	2	119.4082	1.167	4	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH){2|C<3>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.9850	0.000	1	117.9850	0.000	1	118.6305	0.833	2	119.4082	1.167	4	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:4:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CCHH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	117.1270	1.851	2	117.1270	3.427	2	117.1270	3.427	2	117.1270	3.427	2	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:4:4:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH)	C(N[6]C[6]S[6])(CH3)2(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CH3)2(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	121.7390	0.000	1	121.7390	0.000	1	121.7390	0.000	1	121.7390	0.000	1	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP2_SP3_SP3	N[6]	C	S[6]	4:4:4:	4:3:1:1:	2:3:1:1:	C[6]-4:S[6]-4:C-4:	C[3]-4:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<2>,2|C<3>}	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	117.9937	3.690	103	117.9937	3.690	103
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	118.0932	1.030	4	117.5806	2.110	5	117.4114	1.903	7	116.8786	3.504	10	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|N<2>,1|N<3>,3|C<3>}	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	115.5300	0.000	1	117.5806	2.110	5	117.4114	1.903	7	116.8786	3.504	10	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|H<1>,2|C<3>,2|N<2>}	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,1|N<3>,3|C<3>}	115.8750	0.000	1	116.9885	2.480	2	117.4114	1.903	7	116.8786	3.504	10	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){2|N<2>,3|C<3>}	C(N[6]C[5a,6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,1|N<3>,3|C<3>}	118.1020	0.000	1	116.9885	2.480	2	117.4114	1.903	7	116.8786	3.504	10	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6]C[6,6a]S[6])(H)3	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2{1|O<2>,5|C<3>}	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	116.8786	3.504	10	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	C(N[6]C[6,6a]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|O<1>,1|O<2>,3|C<3>}	112.7230	0.000	1	112.7230	0.000	1	115.2170	12.440	2	116.8786	3.504	10	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3){4|C<3>}	C(N[6]C[6,6a]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,2|C<3>,2|N<2>}	117.7110	0.000	1	117.7110	0.000	1	115.2170	12.440	2	116.8786	3.504	10	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:1:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(H)3	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|N<2>,2|C<3>}	117.6525	1.228	2	117.6525	1.509	2	117.6525	1.509	2	117.6525	1.509	2	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:3:1:1:	4:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH)	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.6400	0.000	1	120.6400	0.000	1	120.6400	0.000	1	120.6400	0.000	1	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C(N[6]C[6,6a]S[6])(CCHH)(H)2	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|O<1>,2|C<3>}	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	116.8063	0.168	3	116.8063	0.028	3	116.8063	0.028	3	116.4245	0.723	54	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	116.1565	0.456	12	116.3867	0.684	46	116.4021	0.756	51	116.4245	0.723	54	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	116.4679	0.915	34	116.3867	0.684	46	116.4021	0.756	51	116.4245	0.723	54	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|S<2>,3|C<3>}	115.9797	1.071	3	115.9797	1.148	3	116.4021	0.756	51	116.4245	0.723	54	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.4500	0.000	1	118.4500	0.000	1	116.4021	0.756	51	116.4245	0.723	54	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]Se[6]C)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]Se[6]C)(CH3){2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|Se<2>,1|H<1>,3|C<3>}	116.3280	0.000	1	116.3280	0.000	1	116.4021	0.756	51	116.4245	0.723	54	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CCH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CCH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	120.0940	0.000	1	120.0940	0.000	1	118.1056	5.322	8	118.2111	4.126	14	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	C(N[6]C[6]S[6])(CC[6a]O)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	118.9120	0.000	1	117.2046	6.511	5	118.1056	5.322	8	118.2111	4.126	14	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CC[6a]O)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	116.7777	2.733	4	117.2046	6.511	5	118.1056	5.322	8	118.2111	4.126	14	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(COO)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(COO)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	119.3640	0.174	2	119.3640	0.030	2	118.1056	5.322	8	118.2111	4.126	14	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	119.0438	0.671	5	119.0438	0.451	5	118.3517	3.235	6	118.2111	4.126	14	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|H<1>,3|C<3>}	114.8910	0.000	1	114.8910	0.000	1	118.3517	3.235	6	118.2111	4.126	14	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:4:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CCHH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	118.9195	0.284	2	118.9195	0.080	2	118.3667	1.662	4	118.3667	1.662	4	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:4:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	119.1710	0.000	1	119.1710	0.000	1	118.3667	1.662	4	118.3667	1.662	4	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:3:4:	3:4:1:1:	3:3:1:1:	S[6]-4:C[6]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CH3)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(N[6]C[6]S[6])(CH3)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|H<1>,4|C<3>}	116.4570	0.000	1	116.4570	0.000	1	118.3667	1.662	4	118.3667	1.662	4	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:1:1:1:	2:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3){1|F<1>,4|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2{1|C<4>,1|H<1>,2|C<3>}	116.4020	0.000	1	116.4020	0.000	1	116.4020	0.000	1	116.4020	0.000	1	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:1:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](N[6]C[6]C)2(O)2	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3){2|C<4>,2|H<1>}	C(N[6]C[6]S[6])(H)3	S[6](N[6]C[6]C)2(O)2{1|C<3>,2|C<4>,2|H<1>}	114.8140	0.000	1	114.8140	0.000	1	112.4917	7.090	4	114.2736	6.348	9	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:1:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](N[6]C[6]C)2(O)2	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]S[6])(H)3	S[6](N[6]C[6]C)2(O)2{1|C<3>,2|C<4>,2|H<1>}	110.0450	0.000	1	111.7177	7.040	3	112.4917	7.090	4	114.2736	6.348	9	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:1:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](N[6]C[6]C)2(O)2	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]S[6])(H)3	S[6](N[6]C[6]C)2(O)2{1|C<4>,2|C<3>,2|H<1>}	112.5540	3.144	2	111.7177	7.040	3	112.4917	7.090	4	114.2736	6.348	9	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{2|C<3>,2|C<4>,2|H<1>}	117.7100	0.000	1	117.7100	0.000	1	115.6990	1.663	5	114.2736	6.348	9	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	115.5080	0.000	1	115.5080	0.000	1	115.6990	1.663	5	114.2736	6.348	9	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.4600	0.810	2	115.0923	0.734	3	115.6990	1.663	5	114.2736	6.348	9	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:1:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	C(N[6]C[6]S[6])(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|N<3>,2|H<1>,3|C<3>}	114.3570	0.000	1	115.0923	0.734	3	115.6990	1.663	5	114.2736	6.348	9	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:3:1:1:	2:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:C-3:H-1:H-1:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH)	C(N[6]C[6]S[6])(CCH)(H)2	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH){2|C<3>}	C(N[6]C[6]S[6])(CCH)(H)2	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<2>,2|C<3>}	114.7720	0.160	2	114.7720	0.026	2	114.7720	0.026	2	114.7720	0.026	2	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6,6]-4:S[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH)	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	S[6](N[6]C[6,6]C)(N[6]C[6]H)(O)2	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH){3|C<4>,4|H<1>}	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	S[6](N[6]C[6,6]C)(N[6]C[6]H)(O)2{1|C<3>,2|C<4>,2|H<1>}	112.9187	2.827	3	112.9187	7.991	3	112.9187	7.991	3	115.4680	8.114	11	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2{1|C<3>,4|H<1>}	113.5710	0.000	1	114.9950	5.781	3	114.9950	5.781	3	115.4680	8.114	11	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<4>,3|H<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2{1|C<3>,1|C<4>,3|H<1>}	117.7710	0.000	1	114.9950	5.781	3	114.9950	5.781	3	115.4680	8.114	11	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:3:1:1:	3:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){2|C<4>,2|H<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](N[6]C[6]C)(N[6]C[6]H)(O)2{1|C<3>,1|C<4>,3|H<1>}	113.6430	0.000	1	114.9950	5.781	3	114.9950	5.781	3	115.4680	8.114	11	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	116.7668	1.974	4	116.7668	3.896	4	117.2814	4.246	5	115.4680	8.114	11	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:3:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH){1|C<4>,2|C<3>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{1|N<3>,2|C<3>,3|H<1>}	119.3400	0.000	1	119.3400	0.000	1	117.2814	4.246	5	115.4680	8.114	11	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:3:1:1:	4:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)2	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	S[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)2{1|C<3>,2|C<4>,4|H<1>}	114.4480	0.314	2	114.4480	0.099	2	114.4480	0.099	2	114.4480	0.099	2	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:4:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	S[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(O)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(N[6]C[6]S[6])(CCHH)(H)2	S[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(O)2{1|C<4>,2|C<3>,2|H<1>}	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	116.6493	0.135	3	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:4:1:1:	3:3:1:1:	S[6]-4:C[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]S[6])(CH3)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH){1|N<2>,2|C<3>}	C(N[6]C[6]S[6])(CH3)(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)2{3|C<3>,3|H<1>}	116.7345	0.476	2	116.7345	0.226	2	116.7345	0.226	2	116.6493	0.135	3	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	3:4:1:1:	4:3:1:1:	C[6]-4:S[6]-4:C-4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:N[6]-3:O-1:O-1:	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)2	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH){1|C<4>,1|S<4>,3|H<1>}	C(N[6]C[6]S[6])(CCHH)(H)2	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)2{1|C<4>,4|H<1>}	118.7260	0.000	1	118.7260	0.000	1	118.7260	0.000	1	118.7260	0.000	1	116.5141	3.612	116	116.5141	3.612	116
856	490	961	0:SP3_SP3_SP3	N[6]	C	S[6]	4:4:4:	4:3:1:1:	2:3:1:1:	C[6]-4:S[6]-4:C-4:	C[3]-4:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:O-1:O-1:	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	S[6](O[6]C[6,6a])(N[6]C[6]C)(O)2{1|H<1>,1|O<2>,2|C<3>}	116.0750	0.000	1	116.0750	0.000	1	116.0750	0.000	1	116.0750	0.000	1	116.5141	3.612	116	116.5141	3.612	116
856	490	975	0:SP2_SP3_SP3	N[6]	C	Se[6]	2:2:4:	3:4:4:4:	3:3:	Se[6]-2:Se[6]-2:C-4:	N[6]-3:C-4:C-4:C-4:	N[6]-3:N[6]-3:	N[6](Se[6]N[6])2(CC3)	C(N[6]Se[6]2)(CH3)3	Se[6](N[6]Se[6]C)2	N[6](Se[6]N[6])2(CC3){1|Se<2>,2|C<4>}	C(N[6]Se[6]2)(CH3)3	Se[6](N[6]Se[6]C)2{1|N<3>}	122.8135	4.058	2	122.8135	16.468	2	122.8135	16.468	2	122.8135	16.468	2	122.8135	16.468	2	122.8135	16.468	2
856	490	996	0:SP2_SP3_SP3	N[6]	C	Si[4,6]	4:3:4:	3:4:4:4:	4:3:2:3:	Si[4,6]-4:C[6]-3:C-4:	N[6]-3:C-4:C-4:C-4:	Si[4,3x6]-4:C[6a]-3:O[4]-2:N[6]-3:	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3)	C(N[6]Si[4,6]C[6])(CH3)3	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C)	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3){1|Si<4>,1|Si<5>,1|C<4>,3|C<3>}	C(N[6]Si[4,6]C[6])(CH3)3	Si[4,6](Si[4,3x6]Si[4,6,6]Si[4,4]C[4x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(N[6]C[6]C){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1
856	530	762	0:SP2_SP2_SPD6	N[6]	Ga	C[6]	3:3:6:	3:3:2:2:2:2:	3:3:1:	C[6]-3:C[6]-3:Ga-6:	N[6]-3:N[6]-3:N-2:N-2:N-2:N-2:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	Ga(N[6]C[6]2)2(NC)4	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	Ga(N[6]C[6]2)2(NC)4	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H){2|H<1>,3|C<3>}	120.8343	0.996	3	120.8343	0.992	3	120.8343	0.992	3	120.6395	0.562	6	120.6395	0.562	6	120.6395	0.562	6
856	530	762	0:SP2_SP2_SPD6	N[6]	Ga	C[6]	3:3:6:	3:3:2:2:2:2:	3:3:1:	C[6]-3:C[6]-3:Ga-6:	N[6]-3:N[6]-3:N-2:N-2:N-2:N-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	Ga(N[6]C[6]2)2(NC)4	C[6](C[6]C[6,6a]H)(N[6]C[6]Ga)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	Ga(N[6]C[6]2)2(NC)4	C[6](C[6]C[6,6a]H)(N[6]C[6]Ga)(H){1|H<1>,2|C<3>}	120.4447	0.548	3	120.4447	0.300	3	120.4447	0.300	3	120.6395	0.562	6	120.6395	0.562	6	120.6395	0.562	6
856	542	762	0:SP2_SP2_SP2	N[6,6]	N[5]	C[6,6]	3:3:3:	3:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:N[5]-3:	N[6,6]-3:C[5]-3:C[5]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[4,6,6]O)2(N[5]C[5]2)	N[5](N[6,6]C[6,6]2)(C[5]C[5,6a]O)2	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O)	N[6,6](C[6,6]C[4,6,6]O)2(N[5]C[5]2){2|C<3>,2|O<1>,4|C<4>}	N[5](N[6,6]C[6,6]2)(C[5]C[5,6a]O)2{2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	118.3650	0.372	4	118.3650	0.138	4	118.3650	0.138	4	118.3650	0.138	4	118.3650	0.138	4	118.4948	0.133	6
856	542	762	0:SP2_SP2_SP2	N[6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(N[6]C[6]2)	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(N[5]C[5]2){2|H<1>,2|O<1>,7|C<3>}	N[5](C[5]C[5,6a]O)2(N[6]C[6]2){6|C<3>}	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	118.7545	0.218	2	118.7545	0.048	2	118.7545	0.048	2	118.7545	0.048	2	118.7545	0.048	2	118.4948	0.133	6
856	542	930	0:SP2_SP2_SP3	N[6]	N[5,6]	C	3:4:3:	4:3:3:	3:2:1:	N[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[5]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO)	N[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(N[6]C[6]C)	C(N[6]N[5,6]C[6])(OC)(O)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[6]N[5,6]C[6])(OC)(O)	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1
856	542	951	0:SP3_SP-NON_SP2	N[6]	N[5,6]	H	3:4:1:	4:3:3:	3:	N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	N[6]-3:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]N)(N[6]C[6]H)	H(N[6]N[5,6]C[6])	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]N)(N[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	H(N[6]N[5,6]C[6])	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	105.7401	3.363	7	105.7401	3.363	7
856	542	951	0:SP3_SP-NON_SP2	N[6]	N[5,6]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H)	H(N[6]C[5,6]N[5,6])	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H){1|C<3>,1|N<3>,3|C<4>}	H(N[6]C[5,6]N[5,6])	106.3100	0.130	2	106.3100	0.017	2	105.9746	1.260	5	105.3942	3.030	6	105.7401	3.363	7	105.7401	3.363	7
856	542	951	0:SP3_SP-NON_SP2	N[6]	N[5,6]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-3:C[5]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H)	H(N[6]C[5,6]N[5,6])	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H){1|H<1>,1|N<3>,3|C<4>}	H(N[6]C[5,6]N[5,6])	105.7510	1.525	3	105.7510	2.325	3	105.9746	1.260	5	105.3942	3.030	6	105.7401	3.363	7	105.7401	3.363	7
856	542	951	0:SP3_SP-NON_SP2	N[6]	N[5,6]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	N[6]-3:	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6]N[6]S[5])(N[6]C[5,6]H)(C[5]C[5]O)	H(N[6]C[5,6]N[5,6])	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[5,6](C[5,6]N[6]S[5])(N[6]C[5,6]H)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>}	H(N[6]C[5,6]N[5,6])	102.4920	0.000	1	102.4920	0.000	1	102.4920	0.000	1	105.3942	3.030	6	105.7401	3.363	7	105.7401	3.363	7
856	546	643	0:SP2_SP-NON_SP2	N[6]	Ga[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6]-3:Ga[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	Ga[6](N[6]C[6a]C[6])2	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ga[6](N[6]C[6a]C[6])2{2|C<4>,5|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.1980	3.045	4	109.1980	9.269	4	109.1980	9.269	4	109.1980	9.269	4	108.3680	7.216	6	108.3680	7.216	6
856	546	643	0:SP2_SP-NON_SP2	N[6]	Ga[6]	C[6a]	4:3:2:	3:3:	3:3:3:	P[6]-4:C[6a]-3:Ga[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6])	Ga[6](N[6]C[6a]P[6])2	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6]){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	Ga[6](N[6]C[6a]P[6])2{9|C<3>}	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	106.7080	0.078	2	106.7080	0.006	2	106.7080	0.006	2	106.7080	0.006	2	108.3680	7.216	6	108.3680	7.216	6
856	546	762	6:SP2_SP-NON_SP2	N[6]	Ga[6]	C[6]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6]-3:Ga[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	Ga[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ga[6](N[6]C[6a]C[6])2{2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	127.9730	1.085	2	127.9730	1.177	2	128.5730	0.884	4	128.5730	0.884	4	128.5730	0.884	4	128.5730	0.884	4
856	546	762	6:SP2_SP-NON_SP2	N[6]	Ga[6]	C[6]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6]-3:Ga[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	Ga[6](N[6]C[6a]C[6])2	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	Ga[6](N[6]C[6a]C[6])2{2|C<4>,5|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	129.1730	0.190	2	129.1730	0.036	2	128.5730	0.884	4	128.5730	0.884	4	128.5730	0.884	4	128.5730	0.884	4
856	546	849	6:SP2_SP-NON_SP3	N[6]	Ga[6]	P[6]	4:3:2:	3:3:	3:3:3:3:	P[6]-4:C[6a]-3:Ga[6]-2:	N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6])	Ga[6](N[6]C[6a]P[6])2	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6]){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	Ga[6](N[6]C[6a]P[6])2{9|C<3>}	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H){1|N<3>,4|H<1>,8|C<3>}	129.0585	1.235	2	129.0585	1.526	2	129.0585	1.526	2	129.0585	1.526	2	129.0585	1.526	2	129.0585	1.526	2
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:N[6]-3:N[6]-3:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5])	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5]){1|C<4>,1|H<1>,9|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	120.9070	0.000	1	120.1400	1.177	2	120.1400	1.177	2	120.4433	4.855	4	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:N[6]-3:N[6]-3:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5])	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5]){1|C<4>,1|H<1>,9|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	119.3730	0.000	1	120.1400	1.177	2	120.1400	1.177	2	120.4433	4.855	4	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<2>,6|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	123.2980	0.000	1	120.7465	13.020	2	120.7465	13.020	2	120.4433	4.855	4	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<2>,6|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	118.1950	0.000	1	120.7465	13.020	2	120.7465	13.020	2	120.4433	4.855	4	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:N[5]-3:N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2{10|C<3>,1|C<4>,2|H<1>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	122.4260	0.000	1	121.5165	1.654	2	121.5165	1.654	2	121.5165	1.654	2	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:N[5]-3:N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2{10|C<3>,1|C<4>,2|H<1>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,4|C<3>}	120.6070	0.000	1	121.5165	1.654	2	121.5165	1.654	2	121.5165	1.654	2	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-4:C[5]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2{3|C<4>,6|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	123.0690	0.000	1	121.5630	4.536	2	121.5630	4.536	2	121.5630	4.536	2	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-4:C[5]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2{3|C<4>,6|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.0570	0.000	1	121.5630	4.536	2	121.5630	4.536	2	121.5630	4.536	2	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:N[6]-3:N[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N){1|C<4>,1|H<1>,9|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	120.0350	0.000	1	121.4495	4.002	2	121.4495	4.002	2	121.4495	4.002	2	121.0831	3.055	10	121.0831	3.055	10
856	562	643	0:SP2_SP2_SP3	N[6]	Si[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:N[6]-3:N[5]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N){1|C<4>,1|H<1>,9|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	122.8640	0.000	1	121.4495	4.002	2	121.4495	4.002	2	121.4495	4.002	2	121.0831	3.055	10	121.0831	3.055	10
856	562	762	0:SP2_SP2_SP3	N[6]	Si[5]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	Si[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[5]C[5]2O)(C[6]C[6]H)2	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O)	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H)	N[6](Si[5]C[5]2O)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O){10|C<3>,6|H<1>}	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	121.5605	8.243	2	121.5605	67.943	2	121.5605	67.943	2	121.5605	67.943	2	121.5605	67.943	2	121.5605	67.943	2
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	3:3:3:2:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:N[6]-3:N[6]-3:O[5]-2:	N[6]-3:C[6]-3:C-3:	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5])	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5]){1|C<4>,1|H<1>,9|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	122.9660	0.000	1	122.9660	0.000	1	122.9660	0.000	1	122.5670	0.318	2	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	3:3:3:2:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:	N[6]-3:C[6]-3:C-3:	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<2>,6|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	122.5670	0.318	2	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	3:3:3:2:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:N[6]-3:N[6]-3:O[5]-2:	N[6]-3:C[6]-3:C-4:	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5])	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5]){1|C<4>,1|H<1>,9|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	118.9185	2.754	2	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	3:3:3:2:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:	N[6]-3:C[6]-3:C-4:	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<2>,6|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	118.9185	2.754	2	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:N[5]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2{10|C<3>,1|C<4>,2|H<1>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	123.6700	0.000	1	123.6700	0.000	1	123.6700	0.000	1	123.6700	0.000	1	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:N[5]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	Si[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(N[6]C[6a]C[6])2{10|C<3>,1|C<4>,2|H<1>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	120.3590	0.000	1	120.3590	0.000	1	120.3590	0.000	1	120.3590	0.000	1	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-4:C[5]-4:	N[6]-3:C[6]-3:C-3:	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2{3|C<4>,6|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-4:C[5]-4:	N[6]-3:C[6]-3:C-4:	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	Si[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)2{3|C<4>,6|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	117.8920	0.000	1	117.8920	0.000	1	117.8920	0.000	1	117.8920	0.000	1	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:N[6]-3:N[5]-3:	N[6]-3:C[6]-3:C-3:	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N){1|C<4>,1|H<1>,9|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,2|N<3>}	123.0440	0.000	1	123.0440	0.000	1	123.0440	0.000	1	123.0440	0.000	1	120.8623	5.039	10	120.8623	5.039	10
856	562	762	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:N[6]-3:N[5]-3:	N[6]-3:C[6]-3:C-4:	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	Si[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6a]C[6])2(N[5]C[5]N){1|C<4>,1|H<1>,9|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>}	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	120.8623	5.039	10	120.8623	5.039	10
856	602	762	6:SP2_SP2_SPD6	N[3x6]	Ga[6x6]	C[6]	6:4:3:	3:3:3:2:2:2:	3:3:1:	Ga[6x6]-6:C[6,6]-4:C[6]-3:	N[3x6]-3:N[3x6]-3:N[3x6]-3:O[6]-2:O[6]-2:O[6]-2:	C[6,6a]-3:N[3x6]-3:H-1:	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H)	Ga[6x6](N[3x6]C[6,6]C[6])3(O[6]C[6,6a])3	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H)	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H){3|C<4>,6|C<3>}	Ga[6x6](N[3x6]C[6,6]C[6])3(O[6]C[6,6a])3{1|C<4>,6|C<3>,9|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	123.9110	1.364	3	123.9110	1.859	3	123.9110	1.859	3	123.9110	1.859	3	123.9110	1.859	3	123.7927	2.427	6
856	602	762	6:SP2_SP2_SPD6	N[6]	Ga[3x6]	C[6]	6:3:4:	3:3:3:2:2:2:	3:3:4:	Ga[3x6]-6:C[6]-3:C-4:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	N[6]-3:C[6]-3:C-4:	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH)	Ga[3x6](N[6]C[6]C)3(O[6]C[6])3	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3)	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH){1|H<1>,2|C<4>,5|C<3>}	Ga[3x6](N[6]C[6]C)3(O[6]C[6])3{3|C<3>,6|C<4>}	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|O<2>}	123.6743	2.041	3	123.6743	4.165	3	123.6743	4.165	3	123.6743	4.165	3	123.6743	4.165	3	123.7927	2.427	6
856	610	643	0:SP2_SP2_SP3	N[6]	B	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-4:	N[6]-3:Cl-1:Cl-1:Cl-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3)	B(N[6]C[6,6a]2)(Cl)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3){2|H<1>,5|C<3>}	B(N[6]C[6,6a]2)(Cl)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.4520	1.356	2	120.4520	1.839	2	120.4520	1.839	2	120.4520	1.839	2	121.6926	5.789	14	121.6926	5.789	14
856	610	643	0:SP2_SP2_SP3	N[6]	B	C[6,6a]	3:3:4:	3:2:2:2:	3:3:3:	C[6,6a]-3:C[6]-3:B-4:	N[6]-3:N-2:N-2:N-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3)	B(N[6]C[6,6a]C[6])(NN)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3){2|H<1>,3|C<3>}	B(N[6]C[6,6a]C[6])(NN)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B){2|C<3>,4|H<1>}	121.8190	0.000	1	121.8190	0.000	1	121.8190	0.000	1	121.8190	0.000	1	121.6926	5.789	14	121.6926	5.789	14
856	610	643	0:SP2_SP2_SP3	N[6]	B	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2)	B(N[6]C[6,6a]2)2(Cl)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2){2|H<1>,5|C<3>}	B(N[6]C[6,6a]2)2(Cl)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.7096	1.155	8	120.7096	1.333	8	120.7096	1.333	8	120.7096	1.333	8	121.6926	5.789	14	121.6926	5.789	14
856	610	643	0:SP2_SP2_SP3	N[6]	B	C[6,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:B-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3)	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B){2|C<3>,4|H<1>}	121.5940	0.000	1	121.5940	0.000	1	121.5940	0.000	1	125.0987	9.232	3	121.6926	5.789	14	121.6926	5.789	14
856	610	643	0:SP2_SP2_SP3	N[6]	B	C[6,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:B-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3)	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3){1|H<1>,1|N<2>,3|C<3>}	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B){3|H<1>,4|C<3>}	126.8510	0.202	2	126.8510	0.041	2	126.8510	0.041	2	125.0987	9.232	3	121.6926	5.789	14	121.6926	5.789	14
856	610	727	0:SP2_SP2_SP3	N[6]	B	C[5a,6]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:B-4:	N[6]-3:H-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3)	B(N[6]C[5a,6]C[6])(HRh)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Rh)(N[6]C[6]B)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3){1|Rh<5>,1|H<1>,3|C<3>}	B(N[6]C[5a,6]C[6])(HRh)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Rh)(N[6]C[6]B){1|C<3>,4|H<1>}	124.6910	0.000	1	124.6910	0.000	1	124.6910	0.000	1	124.6910	0.000	1	124.6910	0.000	1	124.6910	0.000	1
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:2:4:	3:3:3:1:	3:3:1:	C[6]-3:N[6]-2:B-4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	B(N[6]C[6]N[6])3(H)	C[6](C[6]C[6]C)(N[6]N[6]B)(S)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	B(N[6]C[6]N[6])3(H)	C[6](C[6]C[6]C)(N[6]N[6]B)(S){1|C<3>,1|H<1>}	121.1630	0.440	2	121.1630	0.193	2	121.1630	0.193	2	121.1630	0.193	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:2:4:	3:3:3:1:	3:3:2:	C[6]-3:N[6]-2:B-4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	B(N[6]C[6]N[6])3(H)	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	B(N[6]C[6]N[6])3(H)	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn){1|C<3>,1|H<1>}	123.6770	2.950	4	123.6770	8.705	4	123.6770	8.705	4	123.6770	8.705	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:Cl-1:Cl-1:Cl-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3)	B(N[6]C[6]2)(Cl)3	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3){1|C<3>,2|H<1>}	B(N[6]C[6]2)(Cl)3	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	118.3220	0.516	2	118.3220	0.266	2	118.3220	0.266	2	119.8397	3.691	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BH3)	B(N[6]C[6]2)(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BH3){1|C<3>,2|H<1>}	B(N[6]C[6]2)(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	121.3575	1.262	2	121.3575	1.593	2	121.3575	1.593	2	119.8397	3.691	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:B-4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)2(BH3)	B(N[6]C[6]2)(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi)	N[6](C[6]C[6]N)2(BH3){1|C<3>,2|H<1>}	B(N[6]C[6]2)(H)3	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi){1|C<3>,1|H<1>,1|N<2>}	120.2960	0.902	2	120.2960	0.814	2	120.2960	0.814	2	120.2960	0.814	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:B-4:	N[6]-3:Cl-1:Cl-1:Cl-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3)	B(N[6]C[6]2)(Cl)3	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3){1|C<3>,2|H<1>}	B(N[6]C[6]2)(Cl)3	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH){1|C<3>,2|H<1>}	123.1390	0.658	2	123.1390	0.432	2	123.1390	0.432	2	123.1390	0.432	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6]-3:C[6]-3:B-4:	N[6]-3:H-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3)	B(N[6]C[5a,6]C[6])(HRh)(H)2	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3){1|Rh<5>,1|H<1>,3|C<3>}	B(N[6]C[5a,6]C[6])(HRh)(H)2	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2420	0.000	1	118.2420	0.000	1	118.2420	0.000	1	116.6280	5.210	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:C-2:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH)	B(N[6]C[6]2)(CN)(H)2	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH){1|C<3>,1|C<4>,1|H<1>}	B(N[6]C[6]2)(CN)(H)2	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	115.0140	0.000	1	115.0140	0.000	1	115.0140	0.000	1	116.6280	5.210	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:2:1:1:	3:3:3:	C[6]-3:C[6]-3:B-4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH)	B(N[6]C[6]2)(CN)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH)	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH){1|C<3>,1|C<4>,1|H<1>}	B(N[6]C[6]2)(CN)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH){1|H<1>,1|N<3>,1|O<1>}	123.7050	0.000	1	123.7050	0.000	1	123.7050	0.000	1	123.7050	0.000	1	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:2:2:2:	3:3:1:	C[6,6a]-3:C[6]-3:B-4:	N[6]-3:N-2:N-2:N-2:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3)	B(N[6]C[6,6a]C[6])(NN)3	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3){2|H<1>,3|C<3>}	B(N[6]C[6,6a]C[6])(NN)3	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	120.6413	6.711	15	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:2:2:2:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:N-2:N-2:N-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN3)	B(N[6]C[6]2)(NN)3	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN3){1|N<3>,2|H<1>}	B(N[6]C[6]2)(NN)3	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	120.5500	2.953	2	120.5500	8.719	2	120.5500	8.719	2	120.6413	6.711	15	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:2:2:2:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:O-2:O-2:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BO3)	B(N[6]C[6]2)(OC[6a])3	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	B(N[6]C[6]2)(OC[6a])3	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.3415	3.358	2	120.7701	7.560	12	120.7701	7.560	12	120.6413	6.711	15	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:2:2:2:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:O-2:O-2:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BO3)	B(N[6]C[6]2)(OC[6a])3	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	B(N[6]C[6]2)(OC[6a])3	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.6558	2.811	10	120.7701	7.560	12	120.7701	7.560	12	120.6413	6.711	15	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]HH)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.7370	0.879	4	121.3795	0.808	6	121.3795	0.808	6	121.3795	0.808	6	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]HH)	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.6645	0.435	2	121.3795	0.808	6	121.3795	0.808	6	121.3795	0.808	6	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:O-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]HO)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HO){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.4545	2.838	2	121.4545	8.052	2	121.4545	8.052	2	121.4545	8.052	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:2:2:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:N-2:N-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]NN)	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]NN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(NN)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.2485	2.355	2	120.2485	5.548	2	120.2485	5.548	2	120.2485	5.548	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	120.0237	14.941	11	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2H){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.6467	0.465	4	120.6467	0.216	4	120.6467	0.216	4	120.0237	14.941	11	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN[6]2H)	B(N[6]C[6]2)3(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[6]2H){1|C<3>,2|H<1>}	B(N[6]C[6]2)3(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.0638	5.286	6	120.0638	27.946	6	120.0638	27.946	6	120.0237	14.941	11	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:F-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|C<4>,3|C<3>,3|H<1>}	122.8220	0.000	1	122.8220	0.000	1	122.8220	0.000	1	122.8220	0.000	1	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2O)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.6440	4.352	2	121.6440	18.936	2	121.3150	6.517	4	121.3150	6.517	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2O)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.9860	0.429	2	120.9860	0.184	2	121.3150	6.517	4	121.3150	6.517	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:B-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3)	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9130	0.000	1	119.9130	0.000	1	116.7243	7.653	3	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:B-4:	N[6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3)	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3){1|H<1>,1|N<2>,3|C<3>}	B(N[6]C[6,6a]C[6])(C[6a]C[6a]2)3	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	115.1300	0.232	2	115.1300	0.054	2	116.7243	7.653	3	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	120.6600	1.025	2	120.6600	1.051	2	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<2>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	120.4075	0.009	2	119.7438	0.590	4	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	119.1470	0.000	1	119.7438	0.590	4	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	119.0130	0.000	1	119.7438	0.590	4	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	120.0480	0.092	2	120.0480	0.008	2	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	124.1017	0.646	19	122.9506	5.849	31	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	120.6325	3.549	4	122.9506	5.849	31	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	121.0655	3.436	2	122.9506	5.849	31	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<5>,1|H<1>}	121.1280	3.200	2	122.9506	5.849	31	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	122.1145	4.323	2	122.9506	5.849	31	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	121.1945	4.631	2	122.9506	5.849	31	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	117.5287	0.474	7	117.5287	0.224	7	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<4>,2|C<3>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H){1|Pd<3>,2|H<1>,3|C<3>}	121.2060	2.778	2	121.2060	7.715	2	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|N<2>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>}	121.9630	3.060	2	121.9630	9.366	2	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	116.7847	0.467	12	116.7847	0.218	12	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3){1|N<2>,2|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	119.9140	0.000	1	119.9140	0.000	1	120.6703	9.988	63	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	121.1375	6.464	2	121.1375	41.779	2	121.0853	20.898	3	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	120.9810	0.000	1	120.9810	0.000	1	121.0853	20.898	3	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2P)	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2P){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	121.0950	3.619	2	121.0950	13.097	2	121.0950	13.097	2	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:C-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.4020	1.004	2	120.4020	1.008	2	120.4020	1.008	2	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:C-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CN)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	121.0735	1.815	2	121.0735	3.295	2	121.0735	3.295	2	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[5]-3:N[5]-3:N[5]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN[5]3)	B(N[5]C[5]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[5]3){1|C<3>,2|H<1>}	B(N[5]C[5]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.5970	6.235	2	121.5970	38.879	2	121.5970	38.879	2	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN[6]3)	B(N[6]C[6]2)4	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[6]3){1|C<3>,2|H<1>}	B(N[6]C[6]2)4	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	120.2665	0.880	14	120.2665	0.774	14	120.2665	0.774	14	120.5244	8.809	91	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:2:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C-2:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]C)(N[6]C[6]B)(CC)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<2>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]C)(N[6]C[6]B)(CC){1|C<3>,2|H<1>}	121.1075	0.293	2	121.1075	0.086	2	121.1075	0.086	2	121.1075	0.086	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B){1|N<3>,2|H<1>,4|C<3>}	121.8360	1.445	2	121.8360	2.089	2	121.8360	2.089	2	121.7531	1.075	7	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH){1|C<3>,2|H<1>}	122.4710	0.000	1	122.4710	0.000	1	122.4710	0.000	1	121.7531	1.075	7	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	121.6585	0.770	2	121.6585	0.593	2	121.6585	0.593	2	121.7531	1.075	7	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3){1|N<2>,2|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B){3|C<3>,3|H<1>}	122.6270	0.000	1	122.6270	0.000	1	122.6270	0.000	1	121.7531	1.075	7	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:3:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C){2|H<1>,3|C<3>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){3|H<1>,4|C<3>}	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	121.7531	1.075	7	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:4:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH){1|C<3>,2|H<1>}	122.6090	0.000	1	122.6090	0.000	1	121.3271	18.995	7	121.3271	18.995	7	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:3:	3:3:4:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(BC[6a]3)	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	N[6](C[6]C[6]C)2(BC[6a]3){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)3(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.1135	4.734	6	121.1135	22.410	6	121.3271	18.995	7	121.3271	18.995	7	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	117.9580	0.000	1	117.9580	0.000	1	120.3175	2.660	15	120.4021	3.517	17	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.5376	1.922	8	120.5376	3.693	8	120.3175	2.660	15	120.4021	3.517	17	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.3520	1.317	4	120.3520	1.735	4	120.3175	2.660	15	120.4021	3.517	17	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2C)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(CHHO)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.5475	0.349	2	120.5475	0.122	2	120.3175	2.660	15	120.4021	3.517	17	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:C-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	121.0370	4.257	2	121.0370	18.120	2	121.0370	18.120	2	120.4021	3.517	17	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CH)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	121.1885	5.123	2	121.1885	26.245	2	121.1885	26.245	2	121.1885	26.245	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:4:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:C-4:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.7827	1.894	4	120.7827	3.589	4	120.7827	3.589	4	120.7827	3.589	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6]CC)	B(C[6]C[6]2)(N[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]CC){1|C<3>,2|H<1>}	B(C[6]C[6]2)(N[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	122.2619	2.030	10	122.2619	4.122	10	122.0227	3.623	14	121.8884	3.755	16	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6]CC)	B(C[6]C[6]2)(N[6]C[6]2)(CH3)2	C[6](C[6]C[6]B)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]CC){1|B<4>,1|C<3>,1|H<1>}	B(C[6]C[6]2)(N[6]C[6]2)(CH3)2	C[6](C[6]C[6]B)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	122.6365	1.149	2	122.6365	1.320	2	122.0227	3.623	14	121.8884	3.755	16	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6]CC)	B(C[6]C[6]2)(N[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]CC){1|B<4>,1|C<3>,1|H<1>}	B(C[6]C[6]2)(N[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.2130	0.899	2	120.2130	0.809	2	122.0227	3.623	14	121.8884	3.755	16	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.9480	2.683	2	120.9480	7.197	2	120.9480	7.197	2	121.8884	3.755	16	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BCHH)	B(N[6]C[6]2)(CCFF)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BCHH){1|C<3>,2|H<1>}	B(N[6]C[6]2)(CCFF)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	120.2625	0.204	2	120.2625	0.042	2	120.2625	0.042	2	121.1519	0.595	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BHHN)	B(N[6]C[6]2)(NBCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	B(N[6]C[6]2)(NBCC)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.7355	0.442	2	121.7355	0.195	2	121.3743	0.476	8	121.1519	0.595	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BHHN)	B(N[6]C[6]2)(NBCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	B(N[6]C[6]2)(NBCH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.7270	0.854	2	121.7270	0.730	2	121.3743	0.476	8	121.1519	0.595	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BHHN)	B(N[6]C[6]2)(NBHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	B(N[6]C[6]2)(NBHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.5015	0.320	2	121.5015	0.103	2	121.3743	0.476	8	121.1519	0.595	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BHHN)	B(N[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	B(N[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	120.5330	0.591	2	120.5330	0.349	2	121.3743	0.476	8	121.1519	0.595	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:4:4:2:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:C-4:C-4:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BCCO)	B(N[6]C[6]2)(CCHH)2(OC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BCCO){1|C<3>,2|H<1>}	B(N[6]C[6]2)(CCHH)2(OC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	121.2670	2.800	4	121.2670	7.838	4	121.2670	7.838	4	121.2670	7.838	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:C-4:C-4:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3)	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3){1|C<3>,2|H<1>}	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	118.0755	0.323	2	118.0755	0.104	2	118.0755	0.104	2	118.0755	0.104	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	3:4:4:4:	3:3:4:	C[6]-3:C[6]-3:B-4:	N[6]-3:C-4:C-4:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3)	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3){1|C<3>,2|H<1>}	B(N[6]C[6]2)(CC[6]HH)(CCHH)2	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	123.5795	0.289	2	123.5795	0.084	2	123.5795	0.084	2	123.5795	0.084	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[5]HH)	B(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]HH){1|C<3>,2|H<1>}	B(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.8740	0.345	2	120.8740	0.119	2	120.8740	0.119	2	120.8272	0.075	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6]HH)	B(C[6]N[6]2H)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]HH){1|C<3>,2|H<1>}	B(C[6]N[6]2H)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.7805	0.312	2	120.7805	0.097	2	120.7805	0.097	2	120.8272	0.075	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	B-4:C[6a]-3:N[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]BF)	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]BF){1|C<3>,2|H<1>}	B(BC[6a]N[6]F)(C[6a]C[6a]2)(N[6]C[6]2)(F)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.4507	1.768	4	121.4507	3.126	4	121.4507	3.126	4	121.4507	3.126	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[5]-4:N[6]-3:C-4:F-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[5]CF)	B(C[5]C[5]2Fe)(N[6]C[6]2)(CH3)(F)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]CF){1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)(N[6]C[6]2)(CH3)(F)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.3450	2.015	2	120.3450	4.061	2	120.3450	4.061	2	121.0567	4.155	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	3:3:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[5]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[5]CH)	B(C[5]C[5]2Mn)(N[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]CH){1|C<3>,2|H<1>}	B(C[5]C[5]2Mn)(N[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.7685	2.525	2	121.7685	6.376	2	121.7685	6.376	2	121.0567	4.155	4	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2Cl)(C[6]C[6]H)2	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2Cl)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.7016	0.448	8	120.7016	0.201	8	120.7016	0.201	8	120.6424	1.076	16	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.5090	1.308	2	120.5090	1.711	2	120.5833	2.097	8	120.6424	1.076	16	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.6080	1.609	6	120.6080	2.590	6	120.5833	2.097	8	120.6424	1.076	16	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]C[5]2)(C[6]C[6]H)2	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]C[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.4130	2.264	2	120.4130	5.126	2	120.4130	5.126	2	121.0770	11.920	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.9060	4.681	2	120.9060	21.912	2	120.9060	21.912	2	121.0770	11.920	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:B[5]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2B[5])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(B[5]O[5]2)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2B[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(B[5]O[5]2)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	121.0000	3.002	2	121.0000	9.014	2	121.0000	9.014	2	121.0770	11.920	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[5]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	121.1620	6.299	2	121.1620	39.676	2	121.1620	39.676	2	121.0770	11.920	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	N[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2N[5a])(C[6]C[6]H)2	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2N[5a])(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.9040	5.405	2	121.9040	29.215	2	121.9040	29.215	2	121.0770	11.920	10	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:3:4:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6a]-3:C[5]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]C[5]C)(C[6]C[6]H)2	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]C[5]C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(C[5]C[5]2)(N[6]C[6]2)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.8305	2.459	2	120.8305	6.045	2	120.8305	6.045	2	120.8305	6.045	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:4:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C-4:Cl-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]ClC)(C[6]C[6]H)2	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]3)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.9955	0.221	2	120.9955	0.049	2	120.9955	0.049	2	120.9955	0.049	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	3:3:4:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[5]-4:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.8605	3.408	2	120.8605	11.611	2	120.8605	11.611	2	120.8605	11.611	2	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-4:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6]N[6]H)(C[6]C[6]H)2	B(C[6]B[3x3,3x5,12x6]C[6]H)(N[6]C[6]2)2(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6]B[3x3,3x5,12x6]C[6]H)(N[6]C[6]2)2(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	121.2045	0.898	4	121.2045	0.806	4	121.2654	0.716	8	121.2654	0.716	8	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	4:3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-4:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6]N[6]H)(C[6]C[6]H)2	B(C[6]B[3x3,3x5,9x6]C[6]H)(N[6]C[6]2)2(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[6]B[3x3,3x5,9x6]C[6]H)(N[6]C[6]2)2(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	121.3263	0.925	4	121.3263	0.855	4	121.2654	0.716	8	121.2654	0.716	8	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.7275	5.451	2	120.7275	29.714	2	120.9777	6.113	6	120.9777	6.113	6	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.2205	0.148	2	121.2205	0.022	2	120.9777	6.113	6	120.9777	6.113	6	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	4:3:3:3:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2C[5])(C[6]C[6]H)2	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(C[5]C[5]2Ti)(C[6a]C[6a]2)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.9850	0.765	2	120.9850	0.585	2	120.9777	6.113	6	120.9777	6.113	6	120.8658	6.367	284	120.8658	6.367	284
856	610	762	0:SP2_SP2_SP3	N[6]	B	C[6]	4:3:3:	6:3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	B[4x3,3x5,12x6]-6:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2	B(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(N[6]C[6]2)2(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	B(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(N[6]C[6]2)2(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	121.5778	1.017	4	121.5778	1.034	4	121.5778	1.034	4	121.5778	1.034	4	120.8658	6.367	284	120.8658	6.367	284
856	610	818	0:SP2_SP2_SP3	N[6,6]	B	C[5,6,6]	3:4:4:	3:3:3:3:	4:3:3:	C[5,6,6]-3:C[3x6]-4:B-4:	N[6,6]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,3x6]-4:N[6,6]-3:C[5]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3)	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3){1|H<1>,1|S<2>,5|C<3>}	B(N[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)3	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6]B)(C[5]C[5]H){1|H<1>,5|C<3>}	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1
856	610	914	0:SP2_SP2_SP3	N[6]	B	N[6]	3:2:4:	3:3:3:1:	3:3:	C[6]-3:N[6]-2:B-4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	B(N[6]C[6]N[6])3(H)	N[6](C[6]C[6]C)(N[6]C[6]B)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	B(N[6]C[6]N[6])3(H)	N[6](C[6]C[6]C)(N[6]C[6]B){1|C<3>,1|H<1>,1|S<1>}	113.8890	0.585	2	112.5355	6.613	6	112.5355	6.613	6	112.5355	6.613	6	112.5355	6.613	6	112.5355	6.613	6
856	610	914	0:SP2_SP2_SP3	N[6]	B	N[6]	3:2:4:	3:3:3:1:	3:3:	C[6]-3:N[6]-2:B-4:	N[6]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	B(N[6]C[6]N[6])3(H)	N[6](C[6]C[6]C)(N[6]C[6]B)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	B(N[6]C[6]N[6])3(H)	N[6](C[6]C[6]C)(N[6]C[6]B){1|C<3>,1|H<1>,1|S<2>}	111.8588	3.013	4	112.5355	6.613	6	112.5355	6.613	6	112.5355	6.613	6	112.5355	6.613	6	112.5355	6.613	6
856	618	618	6:SP2_SP2_SP2	N[6,6]	B[3x6]	B[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[3x6]-3:B[6]-3:	B[6,6,6a]-3:N[6,6]-3:N[6,6]-3:	N[6,6]-3:B[6]-3:N-3:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N)	B[3x6](B[6,6,6a]N[6,6a]2)(N[6,6]C[6,6a]B[6])2	B[6](N[6,6]C[6,6a]B[3x6])(B[6]N[6,6a]N)(NCC)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	B[3x6](B[6,6,6a]N[6,6a]2)(N[6,6]C[6,6a]B[6])2{2|B<3>,2|N<3>,5|C<3>}	B[6](N[6,6]C[6,6a]B[3x6])(B[6]N[6,6a]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	119.2816	21.517	7
856	618	618	6:SP2_SP2_SP2	N[6]	B[6]	B[6]	3:3:1:	3:3:3:	3:3:3:	B[6]-3:B[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6,6a]C[6a])2(H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H)	N[6](B[6]C[6,6a]C[6a])2(H){7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H){1|H<1>,2|C<4>,6|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H){1|H<1>,2|C<4>,6|C<3>}	124.6250	0.000	1	124.6250	0.000	1	124.6250	0.000	1	124.6250	0.000	1	120.1347	19.707	6	119.2816	21.517	7
856	618	618	6:SP2_SP2_SP2	N[6]	B[6]	B[6]	3:3:3:	3:3:1:	3:3:1:	B[6]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](B[6]C[6,6a]H)2(C[6a]C[6a]2)	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](B[6]C[6,6a]H)2(C[6a]C[6a]2){7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H){2|H<1>,5|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H){2|H<1>,5|C<3>}	120.3430	0.000	1	120.3430	0.000	1	120.3430	0.000	1	120.3430	0.000	1	120.1347	19.707	6	119.2816	21.517	7
856	618	618	6:SP2_SP2_SP2	N[6]	B[6]	B[6]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:B[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]N[6])2(C[6a]C[6a]2)	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2)	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2)	N[6](B[6]C[6a]N[6])2(C[6a]C[6a]2){1|C<2>,4|C<4>,6|C<3>}	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	119.8400	0.000	1	119.8400	0.000	1	119.8400	0.000	1	115.7955	32.716	2	120.1347	19.707	6	119.2816	21.517	7
856	618	618	6:SP2_SP2_SP2	N[6]	B[6]	B[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B[6]-3:B[6]-3:	N[6]-3:B[6]-3:N-3:	N[6]-3:B[6]-3:N-3:	N[6](C[6a]C[6a]2)(B[6]B[6]N)2	B[6](N[6]C[6a]B[6])(B[6]N[6]N)(NCC)	B[6](N[6]C[6a]B[6])(B[6]N[6]N)(NCC)	N[6](C[6a]C[6a]2)(B[6]B[6]N)2{2|C<3>,2|H<1>,3|N<3>}	B[6](N[6]C[6a]B[6])(B[6]N[6]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	B[6](N[6]C[6a]B[6])(B[6]N[6]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	115.7955	32.716	2	120.1347	19.707	6	119.2816	21.517	7
856	618	618	6:SP2_SP2_SP2	N[6]	B[6]	B[6]	3:3:3:	4:3:4:	3:3:4:	B[6]-3:C[6a]-3:B[6]-3:	C[6,6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:C-4:	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C)	B[6](C[6,6]C[6,6]C[6]Cr)(N[6]C[6a]B[6])(CH3)	B[6](N[6]C[6a]B[6])(N[6]C[6,6]H)(CH3)	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	B[6](C[6,6]C[6,6]C[6]Cr)(N[6]C[6a]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	B[6](N[6]C[6a]B[6])(N[6]C[6,6]H)(CH3){1|Cr<9>,2|C<3>,3|C<4>}	122.1245	0.193	2	122.1245	0.037	2	122.1245	0.037	2	122.1245	0.037	2	120.1347	19.707	6	119.2816	21.517	7
856	618	643	0:SP2_SP2_SP2	N[6,6]	B[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[3x6]-3:B[6]-3:	N[6,6]-3:B[6]-3:N-3:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N)	B[6](N[6,6]C[6,6a]B[3x6])(B[6]N[6,6a]N)(NCC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]B[3x6]B[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	B[6](N[6,6]C[6,6a]B[3x6])(B[6]N[6,6a]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]B[3x6]B[6])(C[6a]C[6a]H){1|H<1>,2|B<3>,2|N<3>,3|C<3>}	125.5160	0.000	1	125.5160	0.000	1	125.5160	0.000	1	125.5160	0.000	1	125.5160	0.000	1	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:B[6]-3:Ge[6]-2:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6])	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC)	C[6a](N[6]Ge[6]B[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(B[6]N[6]N)(Ge[6]N[6]){3|C<4>,4|C<3>}	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC){1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6]Ge[6]B[6])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,3|N<3>}	123.1590	2.041	3	123.1590	4.164	3	123.1590	4.164	3	123.1590	4.164	3	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	B[6]-3:B[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6,6a]H)2(C[6a]C[6a]2)	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6a](C[6a]C[6a]2)2(N[6]B[6]2)	N[6](B[6]C[6,6a]H)2(C[6a]C[6a]2){7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]B[6])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(N[6]B[6]2){4|H<1>,7|C<3>}	119.6015	1.184	2	119.6015	1.403	2	119.6015	1.403	2	119.4765	0.497	4	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:N[6]-3:F-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]F)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(F)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(B[6]N[6]F)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	B[6](N[6]C[6a]C[6])2(F){2|C<4>,5|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	119.3515	0.159	2	119.3515	0.025	2	119.3515	0.025	2	119.4765	0.497	4	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	N[6](B[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	118.7610	0.577	2	118.7610	0.333	2	118.7610	0.333	2	117.3330	2.920	4	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]O)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(OAl)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2	N[6](C[6a]C[6a]2)(B[6]N[6]O)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	B[6](N[6]C[6a]C[6])2(OAl){2|C<4>,5|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	115.9050	0.520	2	115.9050	0.271	2	115.9050	0.271	2	117.3330	2.920	4	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:B[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]N[6])2(C[6a]C[6a]2)	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]C)2(N[6]B[6]2)	N[6](B[6]C[6a]N[6])2(C[6a]C[6a]2){1|C<2>,4|C<4>,6|C<3>}	B[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]B[6]2){2|H<1>,2|N<3>,3|C<3>}	120.0350	0.390	2	120.0350	0.152	2	120.0350	0.152	2	120.1390	6.290	11	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2){2|C<4>,2|F<1>,7|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.8030	0.505	2	120.3430	0.834	4	120.3430	0.834	4	120.1390	6.290	11	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.8830	1.184	2	120.3430	0.834	4	120.3430	0.834	4	120.1390	6.290	11	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B[6]-3:B[6]-3:	N[6]-3:B[6]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(B[6]B[6]N)2	B[6](N[6]C[6a]B[6])(B[6]N[6]N)(NCC)	C[6a](C[6a]C[6a]H)2(N[6]B[6]2)	N[6](C[6a]C[6a]2)(B[6]B[6]N)2{2|C<3>,2|H<1>,3|N<3>}	B[6](N[6]C[6a]B[6])(B[6]N[6]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]B[6]2){1|C<3>,2|B<3>,2|H<1>,2|N<3>}	124.1165	1.298	2	124.1165	1.684	2	124.1165	1.684	2	120.1390	6.290	11	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O)	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O){1|Ge<2>,3|C<3>,3|C<4>}	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC){1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|O<1>,2|H<1>,3|N<3>}	117.2847	1.071	3	117.2847	1.147	3	117.2847	1.147	3	120.1390	6.290	11	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	B[6]-3:C[6a]-3:B[6]-3:	N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C)	B[6](N[6]C[6a]B[6])(N[6]C[6,6]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]B[6]2)	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	B[6](N[6]C[6a]B[6])(N[6]C[6,6]H)(CH3){1|Cr<9>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]B[6]2){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.1895	1.029	2	118.1895	1.059	2	118.1895	1.059	2	118.1895	1.059	2	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:3:3:	4:3:4:	3:3:3:	B[6]-3:C[6a]-3:B[6]-3:	C[6,6]-4:N[6]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C)	B[6](C[6,6]C[6,6]C[6]Cr)(N[6]C[6a]B[6])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]B[6]2)	N[6](B[6]C[6,6]C)(C[6a]C[6a]2)(B[6]N[6]C){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	B[6](C[6,6]C[6,6]C[6]Cr)(N[6]C[6a]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]B[6]2){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	119.5720	1.086	2	119.5720	1.180	2	119.5720	1.180	2	119.5720	1.180	2	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:4:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H)	B[6](N[6]C[6a]C[6])2(H)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H){3|C<3>,5|C<4>}	B[6](N[6]C[6a]C[6])2(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.5155	1.254	2	120.5155	1.572	2	120.5155	1.572	2	120.5155	1.572	2	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:4:3:	3:3:2:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	C[6]-3:N[6]-3:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	B[6](C[6]B[5a]N[6])(N[6]C[6a]C[6])(OC[6a])	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|B<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[6](C[6]B[5a]N[6])(N[6]C[6a]C[6])(OC[6a]){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	126.1180	0.000	1	126.1180	0.000	1	126.1180	0.000	1	126.1180	0.000	1	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:4:3:	3:4:2:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:O-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.4010	0.000	1	123.4010	0.000	1	123.4010	0.000	1	123.7520	0.246	2	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:4:3:	3:4:2:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:S-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	124.1030	0.000	1	124.1030	0.000	1	124.1030	0.000	1	123.7520	0.246	2	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:4:3:	3:4:3:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	125.7720	0.000	1	125.7720	0.000	1	125.6570	0.026	2	125.6570	0.026	2	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	3:4:3:	3:4:3:	3:3:3:	C[6a]-3:C[6]-4:B[6]-3:	N[6]-3:C[6]-4:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	125.5420	0.000	1	125.5420	0.000	1	125.6570	0.026	2	125.6570	0.026	2	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	4:3:3:	3:3:1:	3:3:3:	P[6]-4:C[6a]-3:B[6]-3:	N[6]-3:N[6]-3:S-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]S)	B[6](N[6]C[6a]P[6])2(S)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]S){1|P<4>,2|C<4>,7|C<3>}	B[6](N[6]C[6a]P[6])2(S){1|N<2>,8|C<3>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	118.7610	0.768	2	118.7610	0.590	2	118.7610	0.590	2	118.4442	1.309	4	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP2_SP2_SP2	N[6]	B[6]	C[6a]	4:3:3:	3:3:1:	3:3:3:	P[6]-4:C[6a]-3:B[6]-3:	N[6]-3:N[6]-3:Se-1:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]Se)	B[6](N[6]C[6a]P[6])2(Se)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]Se){1|P<4>,2|C<4>,7|C<3>}	B[6](N[6]C[6a]P[6])2(Se){1|N<2>,8|C<3>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|Se<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	118.1275	1.713	2	118.1275	2.935	2	118.1275	2.935	2	118.4442	1.309	4	120.3652	8.083	37	120.5007	8.562	38
856	618	643	0:SP3_SP2_SP2	N[6,6]	B[3x6]	C[6a]	4:3:3:	3:3:3:	3:3:3:	Si[6,6]-4:B[3x6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](Si[6,6]C[3x6]CC)(B[3x6]N[6,6]2)(C[6a]C[6a]2)	B[3x6](N[6,6]Si[6,6]C[6a])3	C[6a](N[6,6]Si[6,6]B[3x6])(C[6a]C[6a]H)2	N[6,6](Si[6,6]C[3x6]CC)(B[3x6]N[6,6]2)(C[6a]C[6a]2){2|Si<4>,3|H<1>,4|C<3>}	B[3x6](N[6,6]Si[6,6]C[6a])3{6|C<3>,7|C<4>}	C[6a](N[6,6]Si[6,6]B[3x6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	126.4723	1.131	3	126.4723	1.278	3	126.4723	1.278	3	126.4723	1.278	3	126.4723	1.278	3	126.4723	1.278	3
856	618	643	6:SP2_SP2_SP2	N[6,6]	B[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[3x6]-3:B[6]-3:	B[6,6,6a]-3:N[6,6]-3:N[6,6]-3:	C[6,6a,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N)	B[3x6](B[6,6,6a]N[6,6a]2)(N[6,6]C[6,6a]B[6])2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]B[3x6]B[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(B[3x6]B[6,6,6a]N[6,6])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	B[3x6](B[6,6,6a]N[6,6a]2)(N[6,6]C[6,6a]B[6])2{2|B<3>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6,6]B[3x6]B[6])(C[6a]C[6a]H){1|H<1>,2|B<3>,2|N<3>,3|C<3>}	120.2970	0.000	1	120.2970	0.000	1	120.2970	0.000	1	120.2970	0.000	1	120.2970	0.000	1	122.0847	2.404	3
856	618	643	6:SP2_SP2_SP2	N[6]	B[6]	C[6,6a]	3:3:1:	3:3:1:	3:3:3:	C[6,6a]-3:B[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H)	B[6](N[6]C[6,6a]H)2(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H){2|H<1>,3|C<3>}	B[6](N[6]C[6,6a]H)2(H){3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,3|C<3>}	122.9785	0.121	2	122.9785	0.015	2	122.9785	0.015	2	122.9785	0.015	2	122.9785	0.015	2	122.0847	2.404	3
856	618	658	6:SP3_SP2_SP3	N[6,6]	B[3x6]	Si[6,6]	4:3:3:	3:3:3:	3:4:4:4:	Si[6,6]-4:B[3x6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6]-3:C[3x6]-4:C-4:C-4:	N[6,6](Si[6,6]C[3x6]CC)(B[3x6]N[6,6]2)(C[6a]C[6a]2)	B[3x6](N[6,6]Si[6,6]C[6a])3	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2	N[6,6](Si[6,6]C[3x6]CC)(B[3x6]N[6,6]2)(C[6a]C[6a]2){2|Si<4>,3|H<1>,4|C<3>}	B[3x6](N[6,6]Si[6,6]C[6a])3{6|C<3>,7|C<4>}	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2{2|C<3>,2|N<3>,4|C<4>}	104.8947	0.563	3	104.8947	0.317	3	104.8947	0.317	3	104.8947	0.317	3	104.8947	0.317	3	104.8947	0.317	3
856	618	762	0:SP2_SP2_SP2	N[6]	B[6,6]	C[6,6]	3:3:4:	3:4:4:	3:3:3:	C[6,6]-3:B[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-4:C[6,6]-4:	N[6]-3:N[6,6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(B[6,6]C[6,6]2)(C[6]C[6]HH)	B[6,6](N[6]C[6,6]C[6])(C[6,6]C[6]2H)2	C[6,6](N[6]B[6,6]C[6])(N[6,6]C[6]2)(N[6]C[6]C)	N[6](C[6,6]N[6,6]N[6])(B[6,6]C[6,6]2)(C[6]C[6]HH){4|H<1>,8|C<4>}	B[6,6](N[6]C[6,6]C[6])(C[6,6]C[6]2H)2{10|H<1>,2|N<3>,3|C<4>}	C[6,6](N[6]B[6,6]C[6])(N[6,6]C[6]2)(N[6]C[6]C){4|C<4>,8|H<1>}	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	121.0304	0.640	12
856	618	762	0:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:2:2:	3:3:1:	B[6]-3:C[6]-3:C[6]-3:	N[6]-3:O[6]-2:O[6]-2:	N[6]-3:C[6]-3:H-1:	N[6](B[6]O[6]2)(C[6]C[6]H)2	B[6](N[6]C[6]2)(O[6]C[6])2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]O[6]2)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|H<1>}	B[6](N[6]C[6]2)(O[6]C[6])2{2|C<3>,2|H<1>,5|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	121.5950	0.525	2	121.5950	0.275	2	121.5950	0.275	2	121.5950	0.275	2	121.0301	0.704	11	121.0304	0.640	12
856	618	762	0:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[6]2)(C[6]C[6]H)2	B[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]2)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2)(C[6]C[6]H)2{3|H<1>,4|C<3>}	B[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]2){1|B<3>,4|C<3>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.7075	0.763	4	120.7075	0.582	4	121.0667	0.584	8	121.0667	0.584	8	121.0301	0.704	11	121.0304	0.640	12
856	618	762	0:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[6]2)(C[6]C[6]H)2	B[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	B[6](C[6]C[6]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.4260	0.661	4	121.4260	0.437	4	121.0667	0.584	8	121.0667	0.584	8	121.0301	0.704	11	121.0304	0.640	12
856	618	762	0:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](B[6]C[6]2)(C[6]C[6]C)2	B[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3)	N[6](B[6]C[6]2)(C[6]C[6]C)2{3|C<3>,4|H<1>}	B[6](C[6]C[6]H)2(N[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.6070	0.000	1	119.6070	0.000	1	119.6070	0.000	1	119.6070	0.000	1	121.0301	0.704	11	121.0304	0.640	12
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:N[6]-3:F-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(B[6]N[6]F)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(F)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	N[6](C[6a]C[6a]2)(B[6]N[6]F)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	B[6](N[6]C[6a]C[6])2(F){2|C<4>,5|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	117.4970	0.175	2	117.4970	0.031	2	117.4970	0.031	2	117.4970	0.031	2	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	B[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](B[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH)	C[6](N[6]C[6a]B[6])(N[6]C[6,6a]H)(S)	N[6](B[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(N[6]C[6,6a]H)(S){1|O<2>,4|C<3>}	123.4270	0.141	2	123.4270	0.020	2	123.4270	0.020	2	123.4270	0.020	2	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(B[6]N[6]O)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(OAl)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(B[6]N[6]O)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	B[6](N[6]C[6a]C[6])2(OAl){2|C<4>,5|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	122.5330	0.651	2	122.5330	0.423	2	122.5330	0.423	2	122.5330	0.423	2	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O)	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC)	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O)	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O){1|Ge<2>,3|C<3>,3|C<4>}	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC){1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O){2|C<3>,2|N<3>,3|C<4>}	131.9190	0.000	1	131.9190	0.000	1	131.0600	1.472	3	131.0600	1.472	3	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O)	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC)	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O)	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O){1|Ge<2>,3|C<3>,3|C<4>}	B[6](N[6]C[6a]Ge[6])(N[6]C[6a]C[6])(NCC){1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O){2|C<3>,2|N<3>}	130.6305	1.356	2	130.6305	1.837	2	131.0600	1.472	3	131.0600	1.472	3	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH)	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,3|C<3>}	122.6050	0.000	1	122.6050	0.000	1	121.1898	1.245	4	121.1898	1.245	4	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2){2|C<4>,2|F<1>,7|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	120.2980	0.085	2	120.7180	0.533	3	121.1898	1.245	4	121.1898	1.245	4	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	121.5580	0.000	1	120.7180	0.533	3	121.1898	1.245	4	121.1898	1.245	4	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	B[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6](B[6]N[6]H)(C[6]N[6]N)(CCCH)	B[6](N[6]C[6]C)2(H)	C[6](N[6]B[6]C)(N[6]C[6]C)(NBC)	N[6](B[6]N[6]H)(C[6]N[6]N)(CCCH){3|C<4>}	B[6](N[6]C[6]C)2(H){2|H<1>,2|N<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(NBC){1|N<3>,3|H<1>}	119.5540	0.000	1	119.5540	0.000	1	119.5540	0.000	1	119.5540	0.000	1	122.2911	25.001	16	122.2911	25.001	16
856	618	762	6:SP2_SP2_SP2	N[6]	B[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	B[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3)	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	C[6](C[6]C[6]H)(N[6]B[6]C)(H)	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3){1|C<4>,3|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]B[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	116.1255	0.381	2	116.1255	0.145	2	116.1255	0.145	2	116.1255	0.145	2	122.2911	25.001	16	122.2911	25.001	16
856	618	849	6:SP2_SP2_SP3	N[6]	B[6]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:B[6]-3:	N[6]-3:N[6]-3:S-1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-2:	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]S)	B[6](N[6]C[6a]P[6])2(S)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6])	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]S){1|P<4>,2|C<4>,7|C<3>}	B[6](N[6]C[6a]P[6])2(S){1|N<2>,8|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6]){1|N<3>,1|S<1>,4|H<1>,8|C<3>}	125.9810	0.486	2	125.9810	0.237	2	125.9810	0.237	2	125.3260	2.022	4	125.3260	2.022	4	125.3260	2.022	4
856	618	849	6:SP2_SP2_SP3	N[6]	B[6]	P[6]	4:3:3:	3:3:1:	3:3:3:2:	P[6]-4:C[6a]-3:B[6]-3:	N[6]-3:N[6]-3:Se-1:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-2:	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]Se)	B[6](N[6]C[6a]P[6])2(Se)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6])	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]Se){1|P<4>,2|C<4>,7|C<3>}	B[6](N[6]C[6a]P[6])2(Se){1|N<2>,8|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6]){1|Se<1>,1|N<3>,4|H<1>,8|C<3>}	124.6710	2.028	2	124.6710	4.113	2	124.6710	4.113	2	125.3260	2.022	4	125.3260	2.022	4	125.3260	2.022	4
856	618	945	0:SP2_SP2_SP3	N[6]	B[6,6]	P	3:4:3:	3:3:3:	3:3:3:	B[6,6]-3:C[6]-4:P-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2)	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2	P(N[6]B[6,6]C[6])(C[6a]C[6a]2)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2){1|P<3>,2|H<1>,3|C<4>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	P(N[6]B[6,6]C[6])(C[6a]C[6a]2)2	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	120.2737	0.802	3	120.2737	0.802	3
856	618	945	0:SP2_SP2_SP3	N[6]	B[6,6]	P	3:4:3:	3:3:3:	3:4:4:	B[6,6]-3:C[6]-4:P-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:C-4:C-4:	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PCC)	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2	P(N[6]B[6,6]C[6])(CCCH)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PCC){1|P<3>,2|H<1>,3|C<4>}	B[6,6](N[6,6]C[6]2)(N[6]C[6]P)2{2|C<4>,8|H<1>}	P(N[6]B[6,6]C[6])(CCCH)2	120.7600	0.430	2	120.7600	0.185	2	120.7600	0.185	2	120.7600	0.185	2	120.2737	0.802	3	120.2737	0.802	3
856	618	951	0:SP2_SP-NON_SP2	N[6]	B[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:B[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H)	B[6](N[6]C[6,6a]H)2(H)	H(N[6]C[6,6a]B[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H){2|H<1>,3|C<3>}	B[6](N[6]C[6,6a]H)2(H){3|C<3>}	H(N[6]C[6,6a]B[6])	121.5335	0.047	2	121.5335	0.002	2	121.5335	0.002	2	121.5335	0.002	2	118.3430	4.262	8	118.3430	4.262	8
856	618	951	0:SP2_SP-NON_SP2	N[6]	B[6]	H	3:3:1:	3:3:3:	3:	B[6]-3:B[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](B[6]C[6,6a]C[6a])2(H)	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H)	H(N[6]B[6]2)	N[6](B[6]C[6,6a]C[6a])2(H){7|C<3>}	B[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]B[6]H){1|H<1>,2|C<4>,6|C<3>}	H(N[6]B[6]2)	117.5390	1.459	2	117.5390	2.130	2	117.5390	2.130	2	117.5390	2.130	2	118.3430	4.262	8	118.3430	4.262	8
856	618	951	0:SP2_SP-NON_SP2	N[6]	B[6]	H	4:3:1:	3:3:4:	3:	C[6,6]-4:B[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]Cr)(B[6]C[6]C)(H)	B[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	H(N[6]C[6,6]B[6])	N[6](C[6,6]C[6,6]C[6]Cr)(B[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	B[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|Cr<9>,1|H<1>,2|C<4>}	H(N[6]C[6,6]B[6])	117.3645	0.030	2	117.3645	0.001	2	117.3645	0.001	2	117.1497	0.119	4	118.3430	4.262	8	118.3430	4.262	8
856	618	951	0:SP2_SP-NON_SP2	N[6]	B[6]	H	4:3:1:	3:3:4:	3:	C[6,6]-4:B[6]-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]Cr)(B[6]N[6]C)(H)	B[6](N[6]C[6a]B[6])(N[6]C[6,6]H)(CH3)	H(N[6]C[6,6]B[6])	N[6](C[6,6]C[6,6]C[6]Cr)(B[6]N[6]C)(H){1|B<3>,1|C<3>,3|C<4>}	B[6](N[6]C[6a]B[6])(N[6]C[6,6]H)(CH3){1|Cr<9>,2|C<3>,3|C<4>}	H(N[6]C[6,6]B[6])	116.9350	0.414	2	116.9350	0.172	2	116.9350	0.172	2	117.1497	0.119	4	118.3430	4.262	8	118.3430	4.262	8
856	622	622	0:SP3_SP3_SP3	N[6,6]	O[6]	O[6]	4:2:2:	3:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CC)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|H<1>,4|C<3>,4|C<4>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CC){3|C<4>,3|H<1>}	96.7892	0.000	1	96.7892	0.000	1	103.3304	13.394	5	103.3304	13.394	5	102.2393	17.859	6	102.2393	17.859	6
856	622	622	0:SP3_SP3_SP3	N[6,6]	O[6]	O[6]	4:2:2:	3:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{3|C<4>,3|H<1>,4|C<3>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH){3|C<4>,3|H<1>}	105.0300	0.000	1	105.0300	0.000	1	103.3304	13.394	5	103.3304	13.394	5	102.2393	17.859	6	102.2393	17.859	6
856	622	622	0:SP3_SP3_SP3	N[6,6]	O[6]	O[6]	4:2:2:	3:4:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:	N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|C<4>,3|H<1>,5|C<3>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	104.9443	0.207	3	104.9443	0.043	3	103.3304	13.394	5	103.3304	13.394	5	102.2393	17.859	6	102.2393	17.859	6
856	622	622	0:SP3_SP3_SP3	N[6,6]	O[6]	O[6]	4:2:2:	3:4:	4:3:	C[6,6]-4:O[6]-2:O[6]-2:	N[6,6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]O[6])	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]O[6]){4|H<1>,5|C<4>}	96.7835	0.000	1	96.7835	0.000	1	96.7835	0.000	1	96.7835	0.000	1	102.2393	17.859	6	102.2393	17.859	6
856	622	622	6:SP2_SP3_SP3	N[6]	O[6]	O[6]	2:2:1:	3:2:	3:2:	O[6]-2:O[6]-2:O-1:	N[6]-3:O[6]-2:	N[6]-3:O[6]-2:	N[6](O[6]O[6])2(O)	O[6](N[6]O[6]O)(O[6]N[6])	O[6](N[6]O[6]O)(O[6]N[6])	N[6](O[6]O[6])2(O){1|N<3>}	O[6](N[6]O[6]O)(O[6]N[6]){1|O<1>,1|O<2>}	O[6](N[6]O[6]O)(O[6]N[6]){1|O<1>,1|O<2>}	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1
856	622	643	0:SP2_SP2_SP3	N[6,6]	O[6,6]	C[6a]	3:4:2:	3:4:	3:3:2:	C[6a]-3:C[3x6]-4:O[6,6]-2:	N[6,6]-3:C[3x6]-4:	N[6,6]-3:C[6a]-3:N[6a]-2:	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){2|C<4>,3|C<3>,4|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	107.9028	0.438	5	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6,6]	O[6,6]	C[6a]	4:2:3:	3:4:	3:3:3:	C[3x6]-4:O[6,6]-2:C[6a]-3:	N[6,6]-3:C[3x6]-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	107.6105	0.120	4	107.6105	0.014	4	107.6105	0.014	4	107.6105	0.014	4	107.9028	0.438	5	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	3:3:2:	4:3:	3:3:3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6]){1|O<1>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.0840	0.000	1	114.0840	0.000	1	114.0840	0.000	1	114.0840	0.000	1	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	3:4:2:	3:4:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.6830	0.000	1	109.6830	0.000	1	108.6107	11.273	3	108.6107	11.273	3	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	3:4:2:	3:4:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]HP)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<4>,2|C<3>,2|C<4>,3|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HP){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	104.8480	0.000	1	104.8480	0.000	1	108.6107	11.273	3	108.6107	11.273	3	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	3:4:2:	3:4:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.3010	0.000	1	111.3010	0.000	1	108.6107	11.273	3	108.6107	11.273	3	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH)	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	106.4940	0.000	1	106.4940	0.000	1	106.3475	0.043	2	107.5060	6.039	4	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	106.2010	0.000	1	106.2010	0.000	1	106.3475	0.043	2	107.5060	6.039	4	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.1440	0.000	1	106.1440	0.000	1	108.6645	12.706	2	107.5060	6.039	4	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CO)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CO){2|H<1>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	111.1850	0.000	1	111.1850	0.000	1	108.6645	12.706	2	107.5060	6.039	4	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a])	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	109.4244	4.357	5	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	107.2480	0.000	1	107.2480	0.000	1	108.2743	0.872	3	109.4244	4.357	5	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	108.5010	0.000	1	108.7875	0.164	2	108.2743	0.872	3	109.4244	4.357	5	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.0740	0.000	1	108.7875	0.164	2	108.2743	0.872	3	109.4244	4.357	5	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP2_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	P[6]-4:C[6a]-3:O[6]-2:	B[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6])	C[6a](N[6]O[6]P[6])(C[6a]C[6a]H)2	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6]){1|C<4>,4|H<1>,8|C<3>}	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6]){1|C<4>,2|H<1>,8|C<3>}	C[6a](N[6]O[6]P[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	109.4244	4.357	5	109.0048	7.852	13	108.6987	5.903	18
856	622	643	0:SP3_SP2_SP3	N[6,6]	O[6,6]	C[6a]	3:4:2:	3:4:	3:3:2:	C[6a]-3:C[3x6]-4:O[6,6]-2:	N[6,6]-3:C[3x6]-4:	N[6,6]-3:C[6a]-3:N[6a]-2:	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<4>,4|C<3>,4|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	109.1730	0.121	4	109.1730	0.015	4	109.1730	0.015	4	109.1730	0.015	4	108.3723	0.739	8	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6,6]	O[6,6]	C[6a]	4:2:3:	3:4:	3:3:3:	C[3x6]-4:O[6,6]-2:C[6a]-3:	N[6,6]-3:C[3x6]-4:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	107.5715	0.011	4	107.5715	0.000	4	107.5715	0.000	4	107.5715	0.000	4	108.3723	0.739	8	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	3:4:2:	3:4:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.8660	0.000	1	109.8660	0.000	1	108.5171	0.973	7	108.5171	0.973	7	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	3:4:2:	3:4:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){4|C<3>,4|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	108.5158	0.744	5	108.5158	0.554	5	108.5171	0.973	7	108.5171	0.973	7	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	3:4:2:	3:4:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]HN)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	107.1750	0.000	1	107.1750	0.000	1	108.5171	0.973	7	108.5171	0.973	7	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	3:4:2:	4:3:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	C[6,6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.5070	0.000	1	106.5070	0.000	1	106.5070	0.000	1	107.9905	4.402	2	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	3:4:2:	4:3:	3:3:3:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	107.9905	4.402	2	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.3700	1.508	2	108.3700	2.273	2	107.3057	4.535	3	108.3289	3.246	12	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]O[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	105.1770	0.000	1	105.1770	0.000	1	107.3057	4.535	3	108.3289	3.246	12	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	111.0835	0.305	2	109.0042	5.926	4	108.6700	2.806	9	108.3289	3.246	12	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	106.9250	0.626	2	109.0042	5.926	4	108.6700	2.806	9	108.3289	3.246	12	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,7|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.1630	0.000	1	109.1630	0.000	1	108.6700	2.806	9	108.3289	3.246	12	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){4|H<1>,6|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	109.3460	0.000	1	109.3460	0.000	1	108.6700	2.806	9	108.3289	3.246	12	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.8120	0.000	1	107.8347	0.716	3	108.6700	2.806	9	108.3289	3.246	12	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	3:4:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.3460	0.000	2	107.8347	0.716	3	108.6700	2.806	9	108.3289	3.246	12	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a])	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6]C[6,6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.1836	0.763	5	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,6|C<3>}	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	110.6810	0.000	1	110.6810	0.000	1	109.1833	1.017	4	109.1836	0.763	5	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	108.5880	0.068	2	108.6840	0.030	3	109.1833	1.017	4	109.1836	0.763	5	108.5179	2.088	26	108.4836	1.743	34
856	622	643	0:SP3_SP2_SP3	N[6]	O[6]	C[6a]	4:3:2:	4:3:	3:3:3:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,7|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	C[6a](N[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	108.8760	0.000	1	108.6840	0.030	3	109.1833	1.017	4	109.1836	0.763	5	108.5179	2.088	26	108.4836	1.743	34
856	622	643	6:SP2_SP2_SP3	N[6,6]	O[6]	C[6,6,6a]	3:3:2:	3:4:	3:3:3:	C[6,6,6a]-3:C[6]-3:O[6]-2:	N[6,6]-3:B[6]-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6])	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6])	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF){1|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6]){1|B<4>,2|C<3>,4|H<1>}	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	114.9890	46.638	2
856	622	643	6:SP2_SP2_SP3	N[6]	O[6]	C[6,6a]	3:2:1:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:H-1:	C[5,6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H){2|C<3>,2|C<4>,2|H<1>}	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	114.9890	46.638	2
856	622	643	6:SP3_SP2_SP2	N[6]	O[6]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:O[6]-2:	N[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	O[6](N[6]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O[6](N[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	109.2565	0.043	2	109.2565	0.002	2	109.2565	0.002	2	109.2565	0.002	2	109.2565	0.002	2	109.2565	0.002	2
856	622	643	6:SP3_SP2_SP3	N[6]	O[6]	C[6,6a]	3:2:4:	4:3:	3:3:3:	C[6,6a]-3:O[6]-2:C-4:	C[5,6]-4:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3)	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C){1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1
856	622	762	0:SP2_SP2_SP3	N[6,6]	O[6]	C[6]	3:3:2:	3:4:	3:3:1:	C[6,6,6a]-3:C[6]-3:O[6]-2:	N[6,6]-3:B[6]-4:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6])	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF)	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	O[6](N[6,6]C[6,6,6a]C[6])(B[6]O[6]CF){1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1
856	622	762	0:SP3_SP2_SP3	N[6,6]	O[6]	C[6]	4:2:3:	4:3:	3:4:1:	C[6,6]-4:O[6]-2:C[6]-3:	C[6,6]-4:N[6,6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O)	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,3|C<4>}	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	109.6840	37.169	2	109.6840	37.169	2
856	622	762	0:SP3_SP2_SP3	N[6,6]	O[6]	C[6]	4:3:2:	3:4:	3:3:3:	C[6,6]-4:C[6]-3:O[6]-2:	N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6])	O[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6,6]C[6,6]O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	O[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6,6]C[6,6]O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	105.3730	0.000	1	105.3730	0.000	1	105.3730	0.000	1	105.3730	0.000	1	109.6840	37.169	2	109.6840	37.169	2
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6,6]	3:2:1:	3:4:	3:4:3:	C[6,6]-3:O[6]-2:O-1:	N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](N[6]C[6,6]O)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O)	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	O[6](N[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O){2|C<4>,5|H<1>}	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	118.9525	23.349	13
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6]	3:2:1:	4:3:	4:3:1:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:	C[4x6]-4:N[6]-3:H-1:	N[6](C[6]C[4x6]H)(O[6]C[6])(O)	O[6](C[6]C[3x6]CH)(N[6]C[6]O)	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H)	N[6](C[6]C[4x6]H)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	O[6](C[6]C[3x6]CH)(N[6]C[6]O){1|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	121.3385	0.083	2	121.3385	0.007	2	121.3385	0.007	2	121.3385	0.007	2	118.9409	25.470	12	118.9525	23.349	13
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6]	3:2:1:	4:3:	4:3:4:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:	C[6]-4:N[6]-3:C-4:	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CO)(N[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(N[6]C[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	121.5520	0.000	2	121.5520	0.000	2	121.5080	0.004	4	121.5080	0.004	4	118.9409	25.470	12	118.9525	23.349	13
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6]	3:2:1:	4:3:	4:3:4:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:	C[6]-4:N[6]-3:C-4:	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HO)(N[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH)	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(N[6]C[6]O){2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	121.4160	0.000	1	121.4160	0.000	1	121.5080	0.004	4	121.5080	0.004	4	118.9409	25.470	12	118.9525	23.349	13
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6]	3:2:1:	4:3:	4:3:4:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:	C[6]-4:N[6]-3:C-4:	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HO)(N[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(N[6]C[6]O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.5120	0.000	1	121.5120	0.000	1	121.5080	0.004	4	121.5080	0.004	4	118.9409	25.470	12	118.9525	23.349	13
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6]	3:2:2:	4:3:	4:3:3:	C[6]-3:O[6]-2:O-2:	C[6]-4:N[6]-3:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6]C)(O[6]C[6])(OSi)	O[6](C[6]C[6]CO)(N[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH)	N[6](C[6]C[6]C)(O[6]C[6])(OSi){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(N[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH){1|C<4>,2|C<3>,2|H<1>}	108.4410	0.000	2	108.4410	0.000	2	108.4410	0.000	2	108.4410	0.000	2	118.9409	25.470	12	118.9525	23.349	13
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6]	3:2:4:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-4:	B[5a,6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3)	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]O[6]C)(H)	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3){2|C<3>,2|O<2>}	O[6](B[5a,6]C[6,6a]O[5a]2)(N[6]C[6]C){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	122.0325	0.028	2	122.0325	0.001	2	122.0325	0.001	2	121.3443	1.421	3	118.9409	25.470	12	118.9525	23.349	13
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6]	3:2:4:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-4:	B[6]-4:N[6]-3:	C[6,6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3)	O[6](B[6]N[6,6]CF)(N[6]C[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O)	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3){1|F<1>,1|N<3>,2|C<3>}	O[6](B[6]N[6,6]CF)(N[6]C[6]C){1|O<1>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O){1|B<4>,1|H<1>,2|C<3>}	119.9680	0.000	1	119.9680	0.000	1	119.9680	0.000	1	121.3443	1.421	3	118.9409	25.470	12	118.9525	23.349	13
856	622	762	6:SP2_SP2_SP3	N[6]	O[6]	C[6]	3:3:2:	4:3:	3:3:1:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6])	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6]){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	118.9409	25.470	12	118.9525	23.349	13
856	622	762	6:SP3_SP2_SP2	N[6]	O[6]	C[6]	3:2:4:	3:3:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]O)(O[6]C[6])(CH3)	O[6](C[6]C[6]O)(N[6]C[6]C)	C[6](N[6]C[6]H)(N[6]O[6]C)(O)	N[6](C[6]N[6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]O[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	116.5855	3.191	2	116.5855	10.184	2	116.5855	10.184	2	116.5855	10.184	2	116.5855	10.184	2	116.5855	10.184	2
856	622	762	6:SP3_SP2_SP3	N[6]	O[6]	C[6]	3:4:2:	4:3:	4:3:1:	C[6]-3:C-4:O[6]-2:	C[6]-4:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6])	O[6](C[6]C[6,6]CH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]O[6]C)(O)	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6]){2|H<1>,3|C<4>}	O[6](C[6]C[6,6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]O[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1
856	622	778	0:SP3_SP3_SPD5	N[6,6]	O[6,6]	C[3x3,4,3x5,14x6]	5:4:2:	3:4:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[3x6]-4:O[6,6]-2:	N[6,6]-3:C[3x6]-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N[6,6]-3:	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2C)(O[6,6]C[3x6])	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(N[6,6]C[3x6]O[6,6])	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2C)(O[6,6]C[3x6]){1|C<3>,1|C<5>,2|C<4>,5|B<6>,7|H<1>}	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C){1|C<3>,2|C<4>,3|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(N[6,6]C[3x6]O[6,6]){1|B<6>,1|C<3>,3|C<4>,6|H<1>}	106.0050	0.177	3	106.0050	0.031	3	107.0095	4.057	4	107.0095	4.057	4	107.0095	4.057	4	107.0095	4.057	4
856	622	778	0:SP3_SP3_SPD5	N[6,6]	O[6,6]	C[3x3,4,3x5,14x6]	5:4:2:	3:4:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[3x6]-4:O[6,6]-2:	N[6,6]-3:C[3x6]-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N[6,6]-3:	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(N[6,6]C[3x6]O[6,6])	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|C<4>,1|C<5>,5|B<6>,8|H<1>}	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|C<4>,4|B<6>,4|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(N[6,6]C[3x6]O[6,6]){1|B<6>,1|C<3>,1|N<3>,2|C<4>,6|H<1>}	110.0230	0.000	1	110.0230	0.000	1	107.0095	4.057	4	107.0095	4.057	4	107.0095	4.057	4	107.0095	4.057	4
856	622	818	0:SP2_SP2_SP3	N[6]	O[6]	C[5,6]	3:4:2:	3:4:	4:4:3:	C[5,6]-3:Ga[6]-4:O[6]-2:	N[6]-3:Ga[6]-4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6])	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[6]Ga[6]O[6])	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6]){1|N<3>,3|H<1>,5|C<4>}	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC){1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(N[6]Ga[6]O[6]){1|Ga<4>,1|O<2>,3|C<4>,5|H<1>}	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1
856	622	849	6:SP2_SP3_SP3	N[6]	O[6]	P[6]	4:3:2:	4:3:	3:3:3:4:	P[6]-4:C[6a]-3:O[6]-2:	B[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6])	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6]){1|C<4>,4|H<1>,8|C<3>}	O[6](B[6]C[6a]2C[6])(N[6]C[6a]P[6]){1|C<4>,2|H<1>,8|C<3>}	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1
856	622	863	0:SP2_SP2_SP3	N[6]	O[6]	O	2:2:1:	3:2:	3:	O[6]-2:O[6]-2:O-1:	N[6]-3:O[6]-2:	N[6]-3:	N[6](O[6]O[6])2(O)	O[6](N[6]O[6]O)(O[6]N[6])	O(N[6]O[6]2)	N[6](O[6]O[6])2(O){1|N<3>}	O[6](N[6]O[6]O)(O[6]N[6]){1|O<1>,1|O<2>}	O(N[6]O[6]2)	119.9470	0.124	2	119.9470	0.015	2	119.9470	0.015	2	119.9470	0.015	2	113.0727	15.879	9	113.0727	15.879	9
856	622	863	0:SP2_SP2_SP3	N[6]	O[6]	O	3:2:1:	3:4:	3:	C[6,6]-3:O[6]-2:O-1:	N[6]-3:C[6]-4:	N[6]-3:	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	O[6](N[6]C[6,6]O)(C[6]C[6]CC)	O(N[6]C[6,6]O[6])	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	O[6](N[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|H<1>}	O(N[6]C[6,6]O[6])	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	113.0727	15.879	9	113.0727	15.879	9
856	622	863	0:SP2_SP2_SP3	N[6]	O[6]	O	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6]C[4x6]H)(O[6]C[6])(O)	O[6](C[6]C[3x6]CH)(N[6]C[6]O)	O(N[6]C[6]O[6])	N[6](C[6]C[4x6]H)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	O[6](C[6]C[3x6]CH)(N[6]C[6]O){1|H<1>,3|C<4>}	O(N[6]C[6]O[6])	110.4795	0.220	2	110.4795	0.048	2	110.7687	0.129	6	110.7687	0.129	6	113.0727	15.879	9	113.0727	15.879	9
856	622	863	0:SP2_SP2_SP3	N[6]	O[6]	O	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]CO)(N[6]C[6]O)	O(N[6]C[6]O[6])	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(N[6]C[6]O){2|C<4>,2|H<1>}	O(N[6]C[6]O[6])	111.1630	0.000	2	111.1630	0.000	2	110.7687	0.129	6	110.7687	0.129	6	113.0727	15.879	9	113.0727	15.879	9
856	622	863	0:SP2_SP2_SP3	N[6]	O[6]	O	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HO)(N[6]C[6]O)	O(N[6]C[6]O[6])	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(N[6]C[6]O){1|H<1>,1|O<2>,2|C<4>}	O(N[6]C[6]O[6])	110.4430	0.000	1	110.6635	0.097	2	110.7687	0.129	6	110.7687	0.129	6	113.0727	15.879	9	113.0727	15.879	9
856	622	863	0:SP2_SP2_SP3	N[6]	O[6]	O	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:O-1:	C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6]C[6]C)(O[6]C[6])(O)	O[6](C[6]C[6]HO)(N[6]C[6]O)	O(N[6]C[6]O[6])	N[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(N[6]C[6]O){2|C<4>,2|H<1>}	O(N[6]C[6]O[6])	110.8840	0.000	1	110.6635	0.097	2	110.7687	0.129	6	110.7687	0.129	6	113.0727	15.879	9	113.0727	15.879	9
856	622	893	0:SP2_SP3_SP3	N[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:O-2:	C[6]-4:N[6]-3:	N[6]-3:Si-4:	N[6](C[6]C[6]C)(O[6]C[6])(OSi)	O[6](C[6]C[6]CO)(N[6]C[6]O)	O(N[6]C[6]O[6])(SiC3)	N[6](C[6]C[6]C)(O[6]C[6])(OSi){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(N[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	O(N[6]C[6]O[6])(SiC3)	99.0330	0.000	2	99.0330	0.000	2	99.0330	0.000	2	99.0330	0.000	2	99.0330	0.000	2	99.0330	0.000	2
856	622	930	0:SP2_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	111.9850	0.000	1	111.9850	0.000	1	112.6508	4.846	4	112.6508	4.846	4	113.0334	4.367	5	115.3509	10.489	9
856	622	930	0:SP2_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	113.7090	0.000	1	113.7090	0.000	1	112.6508	4.846	4	112.6508	4.846	4	113.0334	4.367	5	115.3509	10.489	9
856	622	930	0:SP2_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<4>,2|C<3>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	109.9150	0.000	1	112.4545	12.898	2	112.6508	4.846	4	112.6508	4.846	4	113.0334	4.367	5	115.3509	10.489	9
856	622	930	0:SP2_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){2|C<3>,2|H<1>,2|O<2>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	114.9940	0.000	1	112.4545	12.898	2	112.6508	4.846	4	112.6508	4.846	4	113.0334	4.367	5	115.3509	10.489	9
856	622	930	0:SP2_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:3:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:C[6a]-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(C[6a]C[6a]2)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O){1|C<3>,1|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]O[6,6])(C[6a]C[6a]2)(O)	114.5640	0.000	1	114.5640	0.000	1	114.5640	0.000	1	114.5640	0.000	1	113.0334	4.367	5	115.3509	10.489	9
856	622	930	0:SP2_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	O[6](C[6]C[6]CH)(N[6]C[6]C)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C(N[6]C[6]O[6])(OC)(O)	116.4400	0.000	1	116.4400	0.000	1	116.4400	0.000	1	116.4400	0.000	1	118.2477	2.009	4	115.3509	10.489	9
856	622	930	0:SP2_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:	C[6a]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)	O[6](C[6]C[6]HH)(N[6]C[6]C)	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	117.7970	0.000	1	117.7970	0.000	1	117.7970	0.000	1	117.7970	0.000	1	118.2477	2.009	4	115.3509	10.489	9
856	622	930	0:SP2_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:4:1:	C[6]-4:O[6]-2:C-3:	C[6,6]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	C(N[6]C[6]O[6])(CC[6a]HH)(O)	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){1|N<3>,2|C<3>,4|H<1>}	C(N[6]C[6]O[6])(CC[6a]HH)(O)	119.3300	0.000	1	119.3300	0.000	1	119.3300	0.000	1	119.3770	0.004	2	118.2477	2.009	4	115.3509	10.489	9
856	622	930	0:SP2_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:4:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6]C[6]HO)(O[6]C[6])(CCO)	O[6](C[6]C[6]CC)(N[6]C[6]C)	C(N[6]C[6]O[6])(CH3)(O)	N[6](C[6]C[6]HO)(O[6]C[6])(CCO){2|C<3>,2|C<4>}	O[6](C[6]C[6]CC)(N[6]C[6]C){1|C<3>,1|O<2>,2|H<1>}	C(N[6]C[6]O[6])(CH3)(O)	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	119.3770	0.004	2	118.2477	2.009	4	115.3509	10.489	9
856	622	930	0:SP3_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	114.5570	0.000	1	114.5570	0.000	1	113.1750	3.477	3	111.4112	7.576	5	111.3353	4.782	8	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO){1|C<4>,4|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C){1|C<4>,4|C<3>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	111.0540	0.000	1	111.0540	0.000	1	113.1750	3.477	3	111.4112	7.576	5	111.3353	4.782	8	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<3>,1|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	113.9140	0.000	1	113.9140	0.000	1	113.1750	3.477	3	111.4112	7.576	5	111.3353	4.782	8	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:2:1:	C[3x6]-4:O[6,6]-2:C-3:	C[5,3x6]-4:N[6,6]-3:	N[6,6]-3:O-2:O-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(OC)(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO){2|C<3>,2|C<4>,2|H<1>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(N[6,6]C[3x6]O[6,6])(OC)(O)	108.7655	0.134	2	108.7655	0.018	2	108.7655	0.018	2	111.4112	7.576	5	111.3353	4.782	8	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:3:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:N-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO){1|C<3>,1|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	110.4915	0.057	2	110.4915	0.003	2	111.2087	1.545	3	111.2087	1.545	3	111.3353	4.782	8	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6,6]	O[6,6]	C	4:2:3:	4:3:	3:3:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:N[6,6]-3:	N[6,6]-3:N-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO){1|C<3>,1|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	112.6430	0.000	1	112.6430	0.000	1	111.2087	1.545	3	111.2087	1.545	3	111.3353	4.782	8	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6,6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO)	O[6](C[6,6]C[3,6,6]C[6]C)(N[6]C[6]C)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6,6]C[3,6,6]C[6]C)(N[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	C(N[6]C[6]O[6])(OC)(O)	110.1800	0.000	1	110.1800	0.000	1	112.4075	9.924	2	113.9443	11.022	7	113.9443	11.022	7	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6,6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){2|C<4>,2|O<2>,4|H<1>}	C(N[6]C[6]O[6])(OC)(O)	114.6350	0.000	1	114.6350	0.000	1	112.4075	9.924	2	113.9443	11.022	7	113.9443	11.022	7	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO)	O[6](C[6]C[4,6]HH)(N[6]C[6]C)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO){2|C<4>,3|H<1>}	O[6](C[6]C[4,6]HH)(N[6]C[6]C){2|C<4>,3|H<1>}	C(N[6]C[6]O[6])(OC)(O)	119.0560	0.000	1	119.0560	0.000	1	114.5590	12.399	5	113.9443	11.022	7	113.9443	11.022	7	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO)	O[6](C[6]C[6,6]HH)(N[6]C[6]C)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]O[6])(OC)(O)	113.8730	0.000	1	113.8730	0.000	1	114.5590	12.399	5	113.9443	11.022	7	113.9443	11.022	7	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	O[6](C[6]C[6]HN)(N[6]C[6]C)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|N<3>,2|H<1>}	O[6](C[6]C[6]HN)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]O[6])(OC)(O)	111.6990	0.000	1	111.6990	0.000	1	114.5590	12.399	5	113.9443	11.022	7	113.9443	11.022	7	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]CH)(N[6]C[6]C)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO){2|H<1>,4|C<4>}	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	C(N[6]C[6]O[6])(OC)(O)	117.2670	0.000	1	117.2670	0.000	1	114.5590	12.399	5	113.9443	11.022	7	113.9443	11.022	7	112.5528	8.930	15
856	622	930	0:SP3_SP2_SP3	N[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]HH)(N[6]C[6]C)	C(N[6]C[6]O[6])(OC)(O)	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C(N[6]C[6]O[6])(OC)(O)	110.9000	0.000	1	110.9000	0.000	1	114.5590	12.399	5	113.9443	11.022	7	113.9443	11.022	7	112.5528	8.930	15
856	622	943	6:SP2_SP-NON_SP3	N[6]	O[6]	Ga[6]	3:4:2:	3:4:	3:2:4:4:	C[5,6]-3:Ga[6]-4:O[6]-2:	N[6]-3:Ga[6]-4:	N[6]-3:O[6]-2:C-4:C-4:	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6])	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC)	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6]){1|N<3>,3|H<1>,5|C<4>}	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC){1|C<3>,1|O<2>,4|C<4>}	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2{1|Ga<4>,1|C<3>,2|C<4>}	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1
856	622	951	0:SP2_SP-NON_SP3	N[6]	O[6]	H	3:2:1:	4:3:	3:	C[6,6a]-3:O[6]-2:H-1:	C[5,6]-4:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)	H(N[6]C[6,6a]O[6])	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]O[6])	101.2600	0.000	1	101.2600	0.000	1	101.2600	0.000	1	101.2600	0.000	1	101.2600	0.000	1	101.2600	0.000	1
856	622	951	0:SP3_SP-NON_SP3	N[6]	O[6]	H	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	N[6]-3:	N[6](C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)	H(N[6]C[6]O[6])	N[6](C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(N[6]C[6]O[6])	100.4630	0.000	1	100.4630	0.000	1	100.4630	0.000	1	103.4275	17.577	2	103.4275	17.577	2	103.4275	17.577	2
856	622	951	0:SP3_SP-NON_SP3	N[6]	O[6]	H	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	N[6]-3:	N[6](C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6]C[6,6]HH)(N[6]C[6]H)	H(N[6]C[6]O[6])	N[6](C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(N[6]C[6]H){1|C<3>,1|O<2>,3|H<1>}	H(N[6]C[6]O[6])	106.3920	0.000	1	106.3920	0.000	1	106.3920	0.000	1	103.4275	17.577	2	103.4275	17.577	2	103.4275	17.577	2
856	622	952	0:SP3_SP3_SP3	N[6]	O[6]	S	4:4:2:	4:3:	3:3:1:1:	C[6]-4:S-4:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6])	O[6](C[6]C[5,6]HH)(N[6]C[6]S)	S(N[6]C[6]O[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[5,6]HH)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>}	S(N[6]C[6]O[6])(C[6a]C[6a]2)(O)2	112.1870	0.000	1	112.1870	0.000	1	107.1425	50.894	2	107.1425	50.894	2	107.1425	50.894	2	107.1425	50.894	2
856	622	952	0:SP3_SP3_SP3	N[6]	O[6]	S	4:4:2:	4:3:	3:3:1:1:	C[6]-4:S-4:O[6]-2:	C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6])	O[6](C[6]C[6]HH)(N[6]C[6]S)	S(N[6]C[6]O[6])(C[6a]C[6a]2)(O)2	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]S){1|C<3>,2|C<4>,2|H<1>}	S(N[6]C[6]O[6])(C[6a]C[6a]2)(O)2	102.0980	0.000	1	102.0980	0.000	1	107.1425	50.894	2	107.1425	50.894	2	107.1425	50.894	2	107.1425	50.894	2
856	630	762	0:SP2_SP2_SPD6	N[6]	As	C[6]	3:3:6:	3:2:2:2:2:2:	3:3:1:	C[6]-3:C[6]-3:As-6:	N[6]-3:N-2:N-2:N-2:N-2:N-2:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(AsN5)	As(N[6]C[6]2)(NN)5	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(AsN5){1|C<3>,2|H<1>}	As(N[6]C[6]2)(NN)5	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8100	0.888	2	120.8100	0.789	2	120.8100	0.789	2	120.8100	0.789	2	120.8100	0.789	2	120.8100	0.789	2
856	643	643	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.4027	0.388	4	124.4027	0.151	4	123.3137	5.158	9	123.3137	5.158	9	122.2929	11.926	11	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3970	0.000	1	121.3970	0.000	1	123.3137	5.158	9	123.3137	5.158	9	122.2929	11.926	11	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|O<2>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.4455	0.011	2	125.4455	0.000	2	123.3137	5.158	9	123.3137	5.158	9	122.2929	11.926	11	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3140	0.000	1	119.9620	0.840	2	123.3137	5.158	9	123.3137	5.158	9	122.2929	11.926	11	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<2>,5|C<3>}	120.6100	0.000	1	119.9620	0.840	2	123.3137	5.158	9	123.3137	5.158	9	122.2929	11.926	11	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	122.2929	11.926	11	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6a]	3:3:5:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:Nb[6,6]-5:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(Nb[6,6]O[6]2CC)	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(Nb[6,6]O[6]2CC){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	122.2929	11.926	11	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a]){2|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	122.9890	0.000	1	122.9890	0.000	1	122.9890	0.000	1	121.7480	3.080	2	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	121.7480	3.080	2	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	124.7850	0.078	2	124.7850	0.006	2	124.7850	0.006	2	124.7850	0.006	2	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>}	118.7580	0.000	1	118.7580	0.000	1	118.7580	0.000	1	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.4310	0.000	1	122.8773	0.154	4	122.5311	0.364	7	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|O<2>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.8820	0.000	1	122.8773	0.154	4	122.5311	0.364	7	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|S<2>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.5980	0.000	2	122.8773	0.154	4	122.5311	0.364	7	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	121.4370	0.000	1	122.0697	0.303	3	122.5311	0.364	7	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.3860	0.072	2	122.0697	0.303	3	122.5311	0.364	7	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	121.6980	0.000	1	121.6980	0.000	1	123.0824	1.288	25	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	120.3600	0.266	2	120.3600	0.071	2	123.0824	1.288	25	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.6940	0.000	1	123.3928	0.570	22	123.0824	1.288	25	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.6130	0.000	1	123.3928	0.570	22	123.0824	1.288	25	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.9168	0.398	5	123.3928	0.570	22	123.0824	1.288	25	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.3395	0.438	2	123.3928	0.570	22	123.0824	1.288	25	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	124.1232	1.128	5	123.3928	0.570	22	123.0824	1.288	25	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.4319	0.404	8	123.3928	0.570	22	123.0824	1.288	25	122.8344	1.621	33	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	119.7780	0.110	2	119.7780	0.012	2	120.1517	0.248	4	120.1517	0.248	4	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	120.8200	0.000	1	120.5255	0.173	2	120.1517	0.248	4	120.1517	0.248	4	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	120.2310	0.000	1	120.5255	0.173	2	120.1517	0.248	4	120.1517	0.248	4	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6a]-2:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	120.2585	1.254	2	120.2585	1.572	2	121.2664	1.208	8	121.2664	1.208	8	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6a]-2:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	121.3268	0.866	4	121.3268	0.750	4	121.2664	1.208	8	121.2664	1.208	8	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6a]-2:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	122.1535	1.006	2	122.1535	1.012	2	121.2664	1.208	8	121.2664	1.208	8	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6a]-2:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(N[6a]C[6a])2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](N[6]C[6,6a]2)(N[6a]C[6a])2{1|N<2>,2|O<2>,4|C<3>}	121.7745	1.240	2	121.7745	1.537	2	121.7745	1.537	2	121.7745	1.537	2	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2){1|H<1>,8|C<3>}	119.3890	1.789	10	119.3890	3.202	10	119.3890	3.202	10	119.3890	3.202	10	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	119.0615	0.144	2	119.0615	0.021	2	119.0615	0.021	2	119.2940	0.161	4	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.5265	0.497	2	119.5265	0.247	2	119.5265	0.247	2	119.2940	0.161	4	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.7805	0.086	2	119.7805	0.007	2	119.7805	0.007	2	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.1780	0.339	2	120.1780	0.115	2	120.1780	0.115	2	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.3310	0.297	2	119.3310	0.088	2	119.3310	0.088	2	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.8300	1.045	2	117.8300	1.092	2	117.8300	1.092	2	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.7905	0.581	2	119.7905	0.337	2	118.6150	4.314	3	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	116.2640	0.000	1	116.2640	0.000	1	118.6150	4.314	3	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.1532	1.005	12	119.3075	0.965	16	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.7703	0.860	4	119.3075	0.965	16	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	118.6101	1.402	8	118.6101	1.964	8	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	118.7585	1.365	2	117.8295	1.917	4	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	116.9005	0.660	2	117.8295	1.917	4	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.0135	0.620	2	119.0135	0.385	2	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Ge<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	120.4035	1.285	2	120.4035	1.651	2	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.1440	0.000	1	120.1440	0.000	1	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.6590	0.000	1	119.4564	0.945	5	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	118.6545	0.706	2	119.4564	0.945	5	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.6570	0.684	2	119.4564	0.945	5	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	120.0185	0.305	2	119.6257	0.815	8	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	118.6775	0.842	2	119.6257	0.815	8	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	119.9035	0.911	4	119.6257	0.815	8	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|F<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]F){1|H<1>,1|N<2>,5|C<3>}	119.7150	0.508	2	119.7150	0.258	2	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	117.8738	0.695	4	118.5778	1.519	6	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	119.9860	0.443	2	118.5778	1.519	6	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.8040	0.332	2	117.8040	0.110	2	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.9600	0.000	1	117.9600	0.000	1	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,6|C<3>}	117.8438	1.666	4	117.8438	2.774	4	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	121.0682	1.058	10	121.0682	1.120	10	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.3330	0.000	1	117.7730	1.397	3	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.9930	1.583	2	117.7730	1.397	3	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	118.0605	0.919	2	118.0605	0.844	2	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	117.1446	0.851	8	117.1446	0.724	8	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	118.5015	0.364	2	118.5015	0.133	2	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	117.7570	0.045	2	117.7570	0.002	2	118.9548	2.181	88	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.0270	0.000	1	118.0270	0.000	1	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.5365	0.019	2	117.5365	0.000	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.0788	0.465	11	119.0788	0.216	11	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.6280	0.000	1	119.6280	0.000	1	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.0891	0.723	16	119.0891	0.523	16	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.1820	0.096	2	119.1820	0.009	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.9550	0.000	1	117.9550	0.000	1	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.1320	1.530	2	120.1320	2.341	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	123.7555	0.062	2	123.7555	0.004	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	119.1606	0.756	17	119.1606	0.571	17	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	118.4007	0.784	10	118.4007	0.614	10	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|H<1>,5|C<3>}	118.5085	1.573	2	118.5085	2.475	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	119.6565	1.251	2	119.6565	1.565	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.1555	1.593	2	118.8703	1.910	52	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|S<4>,5|C<3>}	119.0765	1.561	2	118.8703	1.910	52	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	118.4450	2.355	2	118.8703	1.910	52	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.6773	1.043	36	118.8703	1.910	52	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.7090	1.178	2	118.8703	1.910	52	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	123.1980	0.314	2	118.8703	1.910	52	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.4133	1.203	4	118.8703	1.910	52	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.0260	0.632	2	118.8703	1.910	52	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,3|F<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	115.1840	0.000	1	115.1840	0.000	1	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,3|F<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	113.6530	0.000	1	113.6530	0.000	1	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	117.4220	0.071	2	117.4220	0.005	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.9540	1.305	3	119.2960	0.801	68	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.3639	0.968	16	119.2960	0.801	68	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	121.8550	0.000	1	119.2960	0.801	68	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.2499	0.946	18	119.2960	0.801	68	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.5630	0.000	1	119.2960	0.801	68	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.5847	0.724	3	119.2960	0.801	68	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.2989	0.551	26	119.2960	0.801	68	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.4910	0.387	2	120.4910	0.150	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.7356	1.286	63	119.6599	1.597	69	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|N<3>,5|C<3>}	118.8645	0.618	6	119.6599	1.597	69	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.7020	0.839	4	117.6943	0.426	6	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.6790	0.122	2	117.6943	0.426	6	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]C)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	117.6695	0.958	2	117.6695	0.918	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,5|C<3>}	119.8640	0.000	1	119.8640	0.000	1	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,5|C<3>}	120.9690	0.584	4	118.3194	3.075	57	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.1335	1.788	42	118.3194	3.075	57	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{7|C<3>}	120.6930	0.000	1	118.3194	3.075	57	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.9870	0.513	4	118.3194	3.075	57	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.2110	0.000	1	118.3194	3.075	57	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.5917	0.650	3	118.3194	3.075	57	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{7|C<3>}	117.5485	0.189	2	118.3194	3.075	57	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Se<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	121.2810	1.280	2	121.2810	1.638	2	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.9050	0.000	1	118.7664	2.346	8	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.0323	1.441	7	118.7664	2.346	8	119.0324	2.021	340	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	121.7980	0.000	1	118.3844	2.789	8	118.3844	2.789	8	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.8967	1.017	7	118.3844	2.789	8	118.3844	2.789	8	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,4|C<3>}	123.8090	0.000	1	123.8090	0.000	1	123.8090	0.000	1	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.9685	1.234	2	117.9685	1.523	2	117.9685	1.523	2	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.6670	0.000	1	119.6670	0.000	1	119.6670	0.000	1	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.2710	0.554	2	120.2710	0.307	2	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<4>,3|C<3>}	117.5772	0.404	5	117.7239	0.346	12	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	117.5252	0.546	5	117.7239	0.346	12	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<4>,3|C<3>}	118.5875	0.400	2	117.7239	0.346	12	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	124.4827	0.909	10	124.6521	0.686	15	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<7>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>}	125.1643	0.188	3	124.6521	0.686	15	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ir){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<7>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	124.7310	1.001	2	124.6521	0.686	15	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Rh)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Rh){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	118.2500	0.000	1	118.2500	0.000	1	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,1|S<1>,2|C<4>,3|C<3>}	116.9887	0.598	4	116.9887	0.358	4	120.8593	12.605	34	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	120.4117	0.356	3	120.4117	0.127	3	120.1944	0.236	7	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.3300	0.000	1	119.6910	0.261	2	120.1944	0.236	7	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.0520	0.000	1	119.6910	0.261	2	120.1944	0.236	7	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.0620	0.000	1	120.0620	0.000	1	120.1944	0.236	7	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ti)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]F)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]Ti){1|F<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]F){1|Ti<11>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2{1|Ti<11>,1|N<3>,2|H<1>,3|C<3>}	120.6820	0.000	1	120.6820	0.000	1	120.1944	0.236	7	119.1573	2.999	493	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF){1|H<1>,4|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<4>,2|F<1>,2|H<1>,3|C<3>}	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	120.8424	10.121	5	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	117.5900	0.000	1	117.5900	0.000	1	121.6665	8.967	4	120.8424	10.121	5	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	124.5290	0.000	1	124.5290	0.000	1	121.6665	8.967	4	120.8424	10.121	5	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	121.4510	0.000	1	122.2735	1.353	2	121.6665	8.967	4	120.8424	10.121	5	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	123.0960	0.000	1	122.2735	1.353	2	121.6665	8.967	4	120.8424	10.121	5	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Br)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Br<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Br)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	118.5630	0.000	1	118.5630	0.000	1	118.5286	0.338	8	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	118.1017	0.804	3	118.4250	0.542	5	118.5286	0.338	8	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	118.9100	0.298	2	118.4250	0.542	5	118.5286	0.338	8	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Cl)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Cl)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	118.6550	0.000	1	118.6550	0.000	1	118.5286	0.338	8	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,4|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<4>,2|F<1>,2|H<1>,3|C<3>}	118.8860	0.000	1	118.8860	0.000	1	118.5286	0.338	8	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	123.2260	0.000	1	123.2260	0.000	1	121.7938	5.781	4	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	123.1810	0.000	1	123.1810	0.000	1	121.7938	5.781	4	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	118.2170	0.000	1	118.2170	0.000	1	121.7938	5.781	4	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	122.5510	0.000	1	122.5510	0.000	1	121.7938	5.781	4	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	119.6340	0.000	1	119.6340	0.000	1	119.6340	0.000	1	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]P[6])(C[6a]C[6a]F)2	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	C[6a](N[6]C[6,6a]P[6])(C[6a]C[6a]F)2{1|S<1>,2|F<1>,5|C<3>}	117.0420	0.000	1	117.0420	0.000	1	117.0420	0.000	1	119.4343	4.177	14	119.4736	3.837	578	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.8800	0.761	2	119.8800	0.579	2	119.5553	3.265	8	119.1522	2.241	17	119.1522	2.241	17	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|S<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1568	2.571	4	119.1568	6.610	4	119.5553	3.265	8	119.1522	2.241	17	119.1522	2.241	17	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.0275	1.076	2	120.0275	1.157	2	119.5553	3.265	8	119.1522	2.241	17	119.1522	2.241	17	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	116.8400	0.000	1	116.8400	0.000	1	116.8400	0.000	1	119.1522	2.241	17	119.1522	2.241	17	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{2|H<1>,2|N<3>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,6|C<3>}	119.0673	0.979	4	119.0673	0.958	4	119.0383	0.893	8	119.1522	2.241	17	119.1522	2.241	17	119.5158	4.062	606
856	643	643	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	119.0093	1.060	4	119.0093	1.124	4	119.0383	0.893	8	119.1522	2.241	17	119.1522	2.241	17	119.5158	4.062	606
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6a]-2:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	116.6285	0.436	2	116.6285	0.190	2	116.6285	0.190	2	116.6285	0.190	2	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2){1|H<1>,8|C<3>}	117.7105	1.491	2	117.7105	2.224	2	117.7105	2.224	2	117.7105	2.224	2	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.7495	0.517	2	119.7495	0.267	2	119.7495	0.267	2	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	115.5330	0.000	1	115.5330	0.000	1	115.5330	0.000	1	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)2(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)2(N[6]C[6,6a]2){7|C<3>}	117.7015	0.473	2	117.7015	0.224	2	117.7015	0.224	2	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	116.1430	0.000	1	116.1430	0.000	1	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.4810	0.000	1	119.4810	0.000	1	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	118.3000	0.684	2	118.3000	0.469	2	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	117.5523	0.992	4	117.5523	0.984	4	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.5115	1.481	2	117.5115	2.195	2	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.3115	0.276	2	119.3115	0.076	2	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,6|C<3>}	115.5143	0.885	4	115.5143	0.784	4	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.3760	1.882	2	117.8715	9.547	4	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	115.3670	0.086	2	117.8715	9.547	4	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	117.1175	0.233	2	117.1175	0.054	2	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.2055	0.569	2	119.2055	0.324	2	117.5945	3.170	24	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.0225	0.148	2	117.0225	0.022	2	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.9752	1.494	6	117.9752	2.233	6	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	116.7350	1.338	2	116.7350	1.790	2	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|N<3>,5|C<3>}	116.8423	1.674	4	116.8423	2.804	4	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,5|C<3>}	116.9410	0.533	2	116.9410	0.284	2	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.6350	0.000	1	118.6440	2.699	20	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{1|B<3>,6|C<3>}	117.1665	0.619	2	118.6440	2.699	20	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.9360	1.602	17	118.6440	2.699	20	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.2680	0.000	1	117.2680	0.000	1	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.8237	1.931	9	118.8237	3.728	9	118.1778	2.866	46	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.5129	1.181	10	118.5129	1.394	10	118.4653	1.220	12	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.6180	0.000	1	117.6180	0.000	1	118.4653	1.220	12	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a]){2|H<1>,8|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.8360	0.000	1	118.8360	0.000	1	118.4653	1.220	12	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,4|C<3>}	121.4460	0.000	1	121.4460	0.000	1	121.4460	0.000	1	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	118.0824	2.822	90	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.4530	0.000	1	118.4530	0.000	1	118.5690	0.027	2	118.5690	0.027	2	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.6850	0.000	1	118.6850	0.000	1	118.5690	0.027	2	118.5690	0.027	2	118.0545	2.722	96	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6a]	C[6,6a]	3:3:4:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	120.1190	0.000	1	121.0345	1.676	2	121.0345	1.676	2	121.0345	1.676	2	121.0345	1.676	2	118.1153	2.862	98
856	643	643	0:SP3_SP2_SP2	N[6]	C[6a]	C[6,6a]	3:3:4:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	121.9500	0.000	1	121.0345	1.676	2	121.0345	1.676	2	121.0345	1.676	2	121.0345	1.676	2	118.1153	2.862	98
856	643	643	6:SP2_SP2_SP2	N[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	119.4815	0.678	27	119.2153	0.821	32	119.2825	0.799	35	119.2825	0.799	35	119.2825	0.799	35	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,9|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,9|C<3>}	117.7780	0.565	5	119.2153	0.821	32	119.2825	0.799	35	119.2825	0.799	35	119.2825	0.799	35	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[3x6]C[6,6,6a]2)	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[3x6]C[6,6,6a]2)	N[3x6](C[6,6,6a]C[6,6a]2)3{3|O<2>,6|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	119.9983	0.145	3	119.9983	0.021	3	119.2825	0.799	35	119.2825	0.799	35	119.2825	0.799	35	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.3605	0.175	4	117.3605	0.031	4	117.7488	0.777	5	117.7488	0.777	5	117.7488	0.777	5	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3020	0.000	1	119.3020	0.000	1	117.7488	0.777	5	117.7488	0.777	5	117.7488	0.777	5	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6,6a]-3:N[6]-2:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6,6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6])	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>}	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	118.3364	1.309	14	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]O[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	117.9710	0.548	4	117.9710	0.300	4	118.2782	1.366	13	118.2782	1.366	13	118.3364	1.309	14	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6a]2){2|H<1>,7|C<3>}	118.0150	0.000	1	118.0150	0.000	1	118.2782	1.366	13	118.2782	1.366	13	118.3364	1.309	14	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[6,6]C[6,6a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|O<2>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	117.2770	0.591	4	117.2770	0.349	4	118.2782	1.366	13	118.2782	1.366	13	118.3364	1.309	14	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	119.7057	1.097	3	119.6523	0.813	4	118.2782	1.366	13	118.2782	1.366	13	118.3364	1.309	14	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|O<2>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]S[6])2(N[6,6]C[6,6a]2){2|H<1>,5|C<3>}	119.4920	0.000	1	119.6523	0.813	4	118.2782	1.366	13	118.2782	1.366	13	118.3364	1.309	14	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:2:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	124.0815	0.312	2	124.0815	0.097	2	124.0815	0.097	2	124.0815	0.097	2	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:2:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	119.5940	0.000	1	119.5940	0.000	1	119.5940	0.000	1	119.5940	0.000	1	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	123.0020	0.000	1	123.0020	0.000	1	123.0020	0.000	1	123.0020	0.000	1	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.7415	0.346	2	117.7415	0.120	2	117.7415	0.120	2	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	124.0175	1.085	2	124.0175	1.178	2	124.0175	1.178	2	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){2|H<1>,4|C<3>}	123.6230	0.146	3	123.6230	0.021	3	123.6230	0.021	3	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	122.3575	0.245	2	122.3575	0.060	2	124.3778	5.933	6	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|F<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H){1|C<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,4|C<3>}	121.9840	0.000	1	121.9840	0.000	1	124.3778	5.933	6	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.8800	0.000	1	126.8800	0.000	1	124.3778	5.933	6	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.3440	1.311	2	126.3440	1.719	2	124.3778	5.933	6	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	119.0770	0.000	1	119.0770	0.000	1	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.0147	1.164	3	122.0147	1.356	3	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.5120	0.000	1	119.5120	0.000	1	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.6260	0.000	1	121.3125	0.943	2	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9990	0.000	1	121.3125	0.943	2	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.5340	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>}	120.3240	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.3220	0.634	2	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.2040	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.4530	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.1000	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.1290	1.107	2	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.4845	0.170	4	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.6506	0.642	39	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Rh<8>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.7770	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.7020	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	123.7310	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.4560	0.000	1	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.2253	0.905	28	122.7357	0.911	84	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	124.2740	0.000	1	124.2740	0.000	1	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	122.2550	0.191	2	122.2550	0.036	2	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	122.4190	0.000	1	122.4190	0.000	1	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9940	0.000	1	122.0601	1.364	21	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1152	1.145	17	122.0601	1.364	21	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.4367	0.876	3	122.0601	1.364	21	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5070	0.000	1	120.0925	0.344	2	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	119.6780	0.000	1	120.0925	0.344	2	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	119.7630	0.000	1	117.2313	3.410	4	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	116.3873	0.917	3	117.2313	3.410	4	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	126.7640	0.000	1	126.7640	0.000	1	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.6810	0.000	1	125.3492	3.079	5	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.0162	1.067	4	125.3492	3.079	5	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H){3|C<3>}	123.9530	0.000	1	123.9530	0.000	1	122.4659	2.727	129	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.8160	0.000	1	120.8160	0.000	1	119.4425	3.773	2	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	118.0690	0.000	1	118.0690	0.000	1	119.4425	3.773	2	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.5060	0.829	2	123.5060	0.687	2	123.5060	0.687	2	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	123.0360	0.000	1	123.0360	0.000	1	123.0360	0.000	1	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|N<3>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	123.9300	0.000	1	123.9300	0.000	1	122.4973	1.682	3	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	121.7810	0.535	2	121.7810	0.286	2	122.4973	1.682	3	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.8160	0.000	1	121.4152	0.607	6	121.2313	0.743	7	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.4895	0.125	2	121.4152	0.607	6	121.2313	0.743	7	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	122.1475	0.271	2	121.4152	0.607	6	121.2313	0.743	7	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.4010	0.000	1	121.4152	0.607	6	121.2313	0.743	7	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1280	0.000	1	120.1280	0.000	1	121.2313	0.743	7	122.4446	3.199	157	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9680	0.000	1	120.8163	0.550	3	120.8163	0.550	3	120.8163	0.550	3	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.3410	0.000	1	120.8163	0.550	3	120.8163	0.550	3	120.8163	0.550	3	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	121.1400	0.000	1	120.8163	0.550	3	120.8163	0.550	3	120.8163	0.550	3	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.2620	0.409	2	111.2620	0.167	2	115.8199	22.318	9	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.7690	0.427	2	113.7690	0.182	2	115.8199	22.318	9	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BCl2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl2){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.4100	0.000	1	122.4100	0.000	1	115.8199	22.318	9	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	113.1965	0.510	2	117.4767	24.607	4	115.8199	22.318	9	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.7570	0.528	2	117.4767	24.607	4	115.8199	22.318	9	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.5250	5.945	2	117.5250	35.347	2	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.3430	0.000	1	119.3430	0.000	1	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.9875	2.085	2	118.9875	4.348	2	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	113.2770	0.000	1	113.2770	0.000	1	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	113.2350	0.000	1	113.2350	0.000	1	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.8500	0.000	1	116.1830	0.222	2	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	116.5160	0.000	1	116.1830	0.222	2	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.9455	0.364	2	116.9455	0.133	2	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CHO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CHO){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.3010	0.000	1	118.3010	0.000	1	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CNO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CNO){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.3120	0.771	2	116.3120	0.594	2	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	114.7315	0.204	2	114.7315	0.042	2	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(COO){1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	116.6410	0.000	1	116.6410	0.000	1	116.5980	5.895	17	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]Se[5]C[5])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]Se[5]C[5]){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,4|C<3>}	122.2175	2.863	2	122.2175	8.197	2	122.2175	8.197	2	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a]){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	121.1560	1.392	2	121.1560	1.937	2	121.1560	1.937	2	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.2250	0.000	1	118.2250	0.000	1	118.2250	0.000	1	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	116.0275	0.985	2	116.0275	0.970	2	116.0275	0.970	2	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	112.7320	0.033	2	112.7320	0.001	2	112.7320	0.001	2	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	122.7260	0.591	2	122.7260	0.349	2	122.7260	0.349	2	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.9763	0.231	3	118.9763	0.053	3	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|S<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.2060	0.236	2	121.2060	0.056	2	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.1704	0.670	5	118.1704	0.449	5	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.0538	0.663	6	121.0538	0.439	6	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.4630	0.000	1	121.4630	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.3621	0.461	8	121.3621	0.212	8	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	122.1355	0.151	2	122.1355	0.023	2	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	118.8900	0.000	1	118.8900	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	113.8235	0.738	2	113.8235	0.544	2	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	118.3455	0.235	2	118.3455	0.055	2	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.1470	0.000	1	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	120.8280	0.233	5	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	119.7368	1.262	9	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	119.4630	0.000	1	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	119.6917	1.608	25	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.6095	0.547	4	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	117.3220	0.000	1	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.6485	0.171	4	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.9280	0.000	1	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	123.1605	2.392	2	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	121.8270	0.000	1	120.0945	2.536	54	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Ge<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]Ge[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	117.1410	0.000	1	117.1410	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,3|F<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|C<3>}	116.9940	0.000	1	116.9940	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	121.3120	0.000	1	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.7265	0.187	2	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	121.6520	0.000	1	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.4039	0.156	14	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.3970	0.000	1	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.2540	0.000	1	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.9590	0.000	1	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.8820	0.532	3	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.7734	0.340	11	121.1096	0.207	35	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.3490	0.000	1	112.3490	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.7390	0.000	1	119.0167	3.080	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|F<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.1480	0.000	1	119.0167	3.080	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.0201	1.795	44	119.0167	3.080	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,6|C<3>}	122.9415	0.316	2	122.5192	4.572	4	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	124.6370	0.000	1	122.5192	4.572	4	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	119.5570	0.000	1	122.5192	4.572	4	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.2250	0.000	1	113.2250	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.0435	0.726	2	120.1945	13.266	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8600	0.000	1	120.1945	13.266	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6980	0.000	1	120.1945	13.266	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.6240	0.000	1	120.1945	13.266	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.5677	3.803	36	120.1945	13.266	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.7065	0.681	2	120.1945	13.266	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	121.7260	0.000	1	120.1945	13.266	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	123.0510	1.986	2	120.1945	13.266	46	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Se<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.4560	0.000	1	114.4560	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	121.4120	0.000	1	121.4120	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	119.1540	0.000	1	119.1540	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	116.0185	2.565	2	116.0185	6.578	2	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	115.5170	0.000	1	115.5170	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]N[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	115.9580	0.000	1	115.9580	0.000	1	119.8787	6.067	228	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.6950	0.000	1	113.6950	0.000	1	112.7962	11.522	9	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1780	0.000	1	112.6839	13.038	8	112.7962	11.522	9	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.4704	1.212	7	112.6839	13.038	8	112.7962	11.522	9	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{2|H<1>,2|N<3>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,6|C<3>}	121.2805	0.272	2	121.2805	0.074	2	120.5727	0.881	4	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	N[6](C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])2{1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	119.8650	0.751	2	119.8650	0.564	2	120.5727	0.881	4	119.2888	9.419	278	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:2:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH){1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	125.0380	0.000	1	125.0380	0.000	1	125.0380	0.000	1	125.0380	0.000	1	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	122.0090	0.000	1	122.0090	0.000	1	122.0090	0.000	1	122.0090	0.000	1	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	120.3550	0.137	2	120.3550	0.019	2	120.3550	0.019	2	120.3550	0.019	2	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,3|C<3>}	119.2330	0.120	2	119.2330	0.014	2	119.8207	1.043	3	119.8207	1.043	3	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.9960	0.000	1	120.9960	0.000	1	119.8207	1.043	3	119.8207	1.043	3	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BCl3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.8220	0.000	1	118.8220	0.000	1	118.5526	0.098	5	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl2){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.4853	0.318	4	118.4853	0.101	4	118.5526	0.098	5	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	121.2890	0.000	1	121.2890	0.000	1	118.8267	11.578	3	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.9440	0.000	1	114.9440	0.000	1	118.8267	11.578	3	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	120.2470	0.000	1	120.2470	0.000	1	118.8267	11.578	3	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	122.1975	0.289	2	122.1975	0.084	2	122.0757	0.086	3	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	121.8320	0.000	1	121.8320	0.000	1	122.0757	0.086	3	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	122.8980	0.000	1	122.8980	0.000	1	122.8980	0.000	1	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	121.0082	0.365	6	121.0650	0.142	8	120.3650	1.089	13	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.2355	0.500	2	121.0650	0.142	8	120.3650	1.089	13	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.1000	0.697	4	119.1000	0.485	4	120.3650	1.089	13	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.8250	0.000	1	119.8250	0.000	1	120.3650	1.089	13	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	122.2730	0.000	1	121.7378	0.255	4	121.7378	0.255	4	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){2|H<1>,4|C<3>}	122.0490	0.000	1	121.7378	0.255	4	121.7378	0.255	4	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	121.3145	0.153	2	121.7378	0.255	4	121.7378	0.255	4	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	120.3077	0.313	3	119.7458	0.715	5	119.4407	0.656	9	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.9030	0.546	2	119.7458	0.715	5	119.4407	0.656	9	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	119.7130	0.000	1	119.7130	0.000	1	119.4407	0.656	9	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7930	0.000	1	118.5200	0.149	2	119.4407	0.656	9	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]C){1|C<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.2470	0.000	1	118.5200	0.149	2	119.4407	0.656	9	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4840	0.000	1	119.4840	0.000	1	119.4407	0.656	9	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	122.8050	0.000	1	122.8050	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	122.2675	0.067	2	121.1606	2.364	8	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.1810	0.390	3	121.1606	2.364	8	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.4023	0.833	3	121.1606	2.364	8	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5345	1.025	2	118.5345	1.050	2	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.7200	0.000	1	122.7200	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|F<1>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.8130	0.000	1	117.8130	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.4110	4.428	2	120.9047	8.554	78	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1660	0.000	1	120.9047	8.554	78	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8714	3.091	63	120.9047	8.554	78	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.0000	0.133	2	120.9047	8.554	78	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	121.7680	1.070	10	120.9047	8.554	78	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	118.2080	0.000	1	118.2080	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	122.8800	0.000	1	122.8800	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1500	0.000	1	117.1500	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7073	1.862	4	119.7073	3.469	4	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|Si<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]Si[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.4760	0.793	2	125.4760	0.629	2	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.4650	0.740	2	119.4650	0.547	2	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.6790	0.000	1	119.6790	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.6950	1.092	4	120.1758	3.015	88	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.6870	0.000	1	120.1758	3.015	88	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.0145	1.043	2	120.1758	3.015	88	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.7790	0.581	2	120.1758	3.015	88	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.2649	1.699	78	120.1758	3.015	88	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.7540	0.000	1	120.1758	3.015	88	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9345	0.233	2	120.5635	1.556	4	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.1925	2.016	2	120.5635	1.556	4	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1653	2.660	6	120.3276	6.079	7	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	121.3010	0.000	1	120.3276	6.079	7	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	125.2070	0.000	1	125.2070	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1560	0.000	1	118.1560	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CIrNN){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5360	0.000	1	122.5360	0.000	1	120.5503	5.640	205	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>}	120.3470	0.680	4	120.3470	0.463	4	120.3470	0.463	4	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	121.9620	0.000	1	121.9620	0.000	1	121.9620	0.000	1	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:Ga[5]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(Ga[5]N[5]2O[5])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(Ga[5]N[5]2O[5]){1|N<3>,2|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H){1|Ga<4>,1|O<3>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H){1|Ga<4>,1|O<3>,2|H<1>,2|N<3>,3|C<3>}	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	120.4761	5.097	249	120.4691	7.793	699	120.3562	7.483	753
856	643	643	6:SP3_SP2_SP2	N[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])3	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])3{1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	117.1138	16.808	10	117.1138	16.808	10	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	N[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	N[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	118.3270	1.533	9	118.3270	2.351	9	118.3270	2.351	9	117.1138	16.808	10	117.1138	16.808	10	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6,6]	C[6,6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	115.7415	0.416	2	115.7415	0.173	2	115.7415	0.173	2	115.7415	0.173	2	115.7415	0.173	2	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	118.9490	0.000	1	118.9490	0.000	1	121.5494	5.089	10	121.5494	5.089	10	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.2155	1.237	2	119.2155	1.530	2	121.5494	5.089	10	121.5494	5.089	10	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	121.5910	0.000	1	121.5910	0.000	1	121.5494	5.089	10	121.5494	5.089	10	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9000	2.111	2	122.2330	2.443	5	121.5494	5.089	10	121.5494	5.089	10	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4550	1.572	3	122.2330	2.443	5	121.5494	5.089	10	121.5494	5.089	10	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|Se<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.3580	0.000	1	125.3580	0.000	1	121.5494	5.089	10	121.5494	5.089	10	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	116.7525	0.289	2	116.7525	0.084	2	116.7525	0.084	2	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]N[6a]){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	116.8220	0.000	1	116.8220	0.000	1	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.2400	0.000	1	119.2400	0.000	1	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	118.0170	0.296	2	118.0170	0.087	2	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|N<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	118.1790	0.000	1	118.1790	0.000	1	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.2600	0.000	1	112.2600	0.000	1	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.3236	1.756	5	116.3236	3.084	5	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	120.5310	0.000	1	120.5310	0.000	1	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.0805	0.118	2	114.0805	0.014	2	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.2550	0.308	2	118.6011	11.890	16	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.9940	0.000	1	118.6011	11.890	16	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.8580	0.000	1	118.6011	11.890	16	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.6879	3.540	12	118.6011	11.890	16	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	119.9280	0.000	1	119.9280	0.000	1	117.7545	9.517	31	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.6650	0.000	1	113.6650	0.000	1	111.5147	1.349	11	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	110.4550	0.000	1	110.4550	0.000	1	111.5147	1.349	11	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.3936	0.975	9	111.3936	0.951	9	111.5147	1.349	11	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a]){2|H<1>,8|C<3>}	111.2680	0.000	1	111.2680	0.000	1	111.2680	0.000	1	116.0406	14.528	45	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	115.7410	0.000	1	115.7410	0.000	1	115.7410	0.000	1	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	108.0090	0.000	1	108.0090	0.000	1	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.0350	0.000	1	109.0350	0.000	1	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]F){2|F<1>,3|C<3>}	117.5380	0.000	1	117.5380	0.000	1	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3700	0.000	1	118.0030	1.168	6	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1296	1.157	5	118.0030	1.168	6	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	116.6390	0.000	1	116.0890	1.385	7	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.6055	0.957	2	116.0890	1.385	7	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.6950	0.000	1	116.0890	1.385	7	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.0260	0.544	3	116.0890	1.385	7	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.8100	1.552	7	117.8100	2.408	7	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|Pt<5>,2|H<1>,3|C<3>}	119.9330	0.000	1	119.9330	0.000	1	116.6594	8.497	24	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93
856	643	643	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3){1|S<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6,6a]C){1|N<2>,2|H<1>,4|C<3>}	117.1460	0.000	1	117.1460	0.000	1	117.1460	0.000	1	116.6428	7.860	26	116.9140	14.158	81	116.9102	13.992	93