727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	3:4:3:	3:3:3:3:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5,5]C[5,6a]3)(N[5a]C[5a,6a]S)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5,5]C[5,6a]3)(N[5a]C[5a,6a]S){8|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3{1|S<4>,3|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|H<1>,6|C<3>}	135.7080	0.000	1	135.7080	0.000	1	135.7080	0.000	1	135.4810	0.103	2	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	3:4:3:	3:3:3:3:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,6|C<3>}	135.2540	0.000	1	135.2540	0.000	1	135.2540	0.000	1	135.4810	0.103	2	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	3:4:3:	3:4:2:1:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[3x5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,5]C[3x5]O[5]H)(N[5a]C[5a,6a]S)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,5]C[3x5]O[5]H)(N[5a]C[5a,6a]S){3|C<4>,4|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H){1|S<4>,5|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	134.5200	0.000	1	134.5200	0.000	1	134.5200	0.000	1	134.5200	0.000	1	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	3:4:3:	3:4:2:2:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[5]-4:S[5]-2:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]S[5]2)(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]S[5]2)(N[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2{2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	133.1310	0.000	2	133.1310	0.000	2	133.1310	0.000	2	133.1310	0.000	2	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	3:4:3:	3:4:2:4:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[5,5]-4:O[5]-2:C-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C){3|H<1>,4|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	134.3420	0.000	1	134.3420	0.000	1	134.3420	0.000	1	134.3420	0.000	1	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	3:4:3:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){2|C<4>,2|H<1>,3|C<3>}	132.7350	0.000	1	132.7350	0.000	1	132.7350	0.000	1	132.7350	0.000	1	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	132.8090	0.000	1	132.8090	0.000	1	132.8090	0.000	1	132.8090	0.000	1	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(COO)	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH){1|H<1>,1|N<3>,1|S<4>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(COO){1|C<4>,1|H<1>,5|C<3>}	133.7310	0.000	2	133.7310	0.000	2	133.7310	0.000	2	133.7310	0.000	2	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5a]	4:3:3:	3:4:3:2:	3:3:4:	C[5,5]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|S<4>,4|C<3>,8|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	135.1320	0.000	1	135.1320	0.000	1	135.1320	0.000	1	135.1320	0.000	1	134.0204	1.083	11	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5,5a]	3:3:4:	3:4:4:4:	3:3:4:	N[5,5a]-3:C[5,5a]-3:C[5,6]-4:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5,5a,6a]C[5])(C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5,5a,6a]C[5])(C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	135.6250	0.000	2	135.6250	0.000	2	135.6250	0.000	2	135.6250	0.000	2	135.6250	0.000	2	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	3:4:3:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	134.0910	0.000	1	134.0910	0.000	1	134.0910	0.000	1	133.7150	0.283	2	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	3:4:3:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]S)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]S){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	133.3390	0.000	1	133.3390	0.000	1	133.3390	0.000	1	133.7150	0.283	2	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	135.7300	0.000	1	135.7300	0.000	1	135.7300	0.000	1	135.7300	0.000	1	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	3:4:3:	3:4:4:4:	3:3:4:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:Si-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]Si)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SiC3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]Si){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|Si<4>,2|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SiC3){1|H<1>,2|C<3>,4|C<4>}	135.3620	0.000	2	135.3620	0.000	2	135.3620	0.000	2	135.3620	0.000	2	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,3|C<3>,3|C<4>}	134.0480	0.000	1	134.0480	0.000	1	134.0480	0.000	1	134.0480	0.000	1	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	4:3:3:	3:4:4:4:	3:2:4:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3)	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C){2|C<4>,6|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3){1|H<1>,4|C<4>}	138.8070	0.000	1	138.8070	0.000	1	138.8070	0.000	1	138.8070	0.000	1	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	135.1950	0.000	1	135.7839	0.543	11	135.7839	0.543	11	135.7839	0.543	11	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	134.2070	0.000	1	135.7839	0.543	11	135.7839	0.543	11	135.7839	0.543	11	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	136.1966	0.432	7	135.7839	0.543	11	135.7839	0.543	11	135.7839	0.543	11	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5a]	4:3:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<4>,3|C<3>,8|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	135.4225	0.155	2	135.7839	0.543	11	135.7839	0.543	11	135.7839	0.543	11	135.5757	1.530	18	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:2:1:1:	3:3:4:	N[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5,5a]-3:O[5]-2:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]O[5]HH)	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H)	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]O[5]HH){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5](C[5,5a]C[5,5a]N[5,5a])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	137.5270	0.000	1	137.5270	0.000	1	137.5270	0.000	1	137.5270	0.000	1	137.5270	0.000	1	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a,6]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5a]-3:N[5a,6]-3:C[5]-4:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5a,6]-3:B[6]-4:	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC)	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC){1|H<1>,2|C<3>,2|F<1>,2|N<3>}	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2{2|B<4>,4|C<3>}	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,4|C<3>}	134.9560	0.000	1	134.9560	0.000	1	134.9560	0.000	1	134.9560	0.000	1	134.9560	0.000	1	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5a]-2:C-3:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){1|C<4>,2|H<1>,2|N<3>}	136.2060	0.000	1	136.2060	0.000	1	136.6500	0.156	3	136.6500	0.156	3	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5a]-2:C-3:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO){1|C<4>,2|H<1>,2|N<3>}	136.8720	0.130	2	136.8720	0.017	2	136.6500	0.156	3	136.6500	0.156	3	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5,6]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){3|H<1>,4|C<3>}	135.7550	0.000	1	135.7550	0.000	1	135.7550	0.000	1	136.0200	0.140	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	136.2850	0.000	1	136.2850	0.000	1	136.2850	0.000	1	136.0200	0.140	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	133.4733	0.172	4	133.2590	0.072	8	133.2590	0.072	8	133.2590	0.072	8	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:3:4:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){2|C<3>,2|O<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	133.0448	0.130	4	133.2590	0.072	8	133.2590	0.072	8	133.2590	0.072	8	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:3:4:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2{1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	137.3820	0.000	1	137.3820	0.000	1	137.3820	0.000	1	137.3820	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|N<2>,4|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	136.1650	0.000	1	136.1650	0.000	1	136.1650	0.000	1	136.1650	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	133.6725	0.728	2	133.6725	0.529	2	134.0337	0.656	3	133.7896	0.459	8	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	134.7560	0.000	1	134.7560	0.000	1	134.0337	0.656	3	133.7896	0.459	8	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){6|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2{1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	133.8370	0.000	1	133.8370	0.000	1	133.1960	0.822	2	133.7896	0.459	8	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	132.5550	0.000	1	132.5550	0.000	1	133.1960	0.822	2	133.7896	0.459	8	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	133.8595	0.298	2	133.8595	0.089	2	133.9413	0.064	3	133.7896	0.459	8	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	134.1050	0.000	1	134.1050	0.000	1	133.9413	0.064	3	133.7896	0.459	8	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH){1|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	132.5000	0.000	1	132.5000	0.000	1	132.5000	0.000	1	132.5000	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	134.3490	0.000	1	134.3490	0.000	1	134.3490	0.000	1	134.3490	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H){3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	127.3480	0.000	1	127.3480	0.000	1	127.3480	0.000	1	127.3480	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5,6]-4:C-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	133.6360	0.000	1	133.6360	0.000	1	133.6360	0.000	1	133.2135	0.357	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:4:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	132.7910	0.000	1	132.7910	0.000	1	132.7910	0.000	1	133.2135	0.357	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|H<1>,5|C<3>}	136.9900	0.000	1	136.9900	0.000	1	136.9900	0.000	1	136.9900	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,6|C<3>}	134.9950	0.000	1	134.9950	0.000	1	134.9950	0.000	1	134.9950	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:3:4:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH){6|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	133.3210	0.000	1	133.3210	0.000	1	133.3210	0.000	1	133.3210	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){2|H<1>,6|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	133.9450	0.000	1	133.9450	0.000	1	133.9450	0.000	1	136.1153	17.353	3	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){3|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	133.4830	0.000	1	133.4830	0.000	1	137.2005	27.640	2	136.1153	17.353	3	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){4|C<3>,4|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	140.9180	0.000	1	140.9180	0.000	1	137.2005	27.640	2	136.1153	17.353	3	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|S<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	135.2460	0.000	1	135.2460	0.000	1	135.2460	0.000	1	135.2460	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:4:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	135.1720	0.000	1	135.1720	0.000	1	135.1720	0.000	1	135.1720	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CHH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CHH){1|H<1>,3|C<3>,3|C<4>}	133.6950	0.000	1	133.6950	0.000	1	133.6950	0.000	1	133.6950	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:4:4:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,3|C<3>,3|C<4>}	133.3430	0.000	1	133.3430	0.000	1	133.3430	0.000	1	133.5750	0.108	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:3:4:4:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|S<4>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|H<1>,3|C<3>,3|C<4>}	133.8070	0.000	1	133.8070	0.000	1	133.8070	0.000	1	133.5750	0.108	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:4:3:1:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H){1|C<4>,2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	133.4380	0.000	1	133.4380	0.000	1	133.4380	0.000	1	133.4380	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	134.6110	0.000	1	134.6110	0.000	1	134.6110	0.000	1	134.6415	0.002	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){3|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	134.6720	0.000	1	134.6720	0.000	1	134.6720	0.000	1	134.6415	0.002	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:4:3:3:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){1|N<3>,2|H<1>,7|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	133.2800	0.000	1	133.2227	0.004	3	133.2227	0.004	3	133.2227	0.004	3	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	3:4:3:3:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){2|H<1>,8|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	133.1940	0.051	2	133.2227	0.004	3	133.2227	0.004	3	133.2227	0.004	3	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	4:3:1:1:	3:2:3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:N[5a]-2:C-3:	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C){1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,2|C<3>,4|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){2|H<1>,3|C<4>}	137.9290	0.000	1	137.9290	0.000	1	137.9290	0.000	1	137.9290	0.000	1	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,5a]	C[5]	N[5a]	3:4:3:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S){2|C<4>,4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	133.9660	0.588	2	133.9660	0.346	2	133.9660	0.346	2	133.9660	0.346	2	134.2857	3.815	48	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,6a]	C[5]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	127.0745	0.084	2	126.7823	0.089	7	126.7823	0.089	7	126.7823	0.089	7	126.9906	0.423	8	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,6a]	C[5]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	126.3610	0.000	1	126.7823	0.089	7	126.7823	0.089	7	126.7823	0.089	7	126.9906	0.423	8	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,6a]	C[5]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	126.7597	0.289	3	126.7823	0.089	7	126.7823	0.089	7	126.7823	0.089	7	126.9906	0.423	8	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,6a]	C[5]	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,2|C<3>,5|H<1>}	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	126.6870	0.000	1	126.7823	0.089	7	126.7823	0.089	7	126.7823	0.089	7	126.9906	0.423	8	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5,6a]	C[5]	N[5a,6a]	3:3:4:	3:4:2:1:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	128.4490	0.000	1	128.4490	0.000	1	128.4490	0.000	1	128.4490	0.000	1	126.9906	0.423	8	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6,6]	C[5,3x6]	N[5a]	4:3:3:	3:4:4:4:	3:3:4:	C[5,3x6]-4:C[5a,6,6]-3:N[5a]-3:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5a,6,6]-3:C[5a]-3:C-4:	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C)	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH)	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3)	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>,6|H<1>}	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3){1|N<3>,4|C<4>}	133.5240	0.000	1	133.5240	0.000	1	133.5240	0.000	1	133.5240	0.000	1	133.5240	0.000	1	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,5,6,6]	N[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	N[5,5,6]-3:C[5a,6]-3:C[5,6]-3:C[5,6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC)	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC){2|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	125.4020	0.000	1	125.4020	0.000	1	125.4020	0.000	1	125.0800	0.207	2	125.0800	0.207	2	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,5,6,6]	N[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	N[5,5,6]-3:C[5a,6]-3:N[5,6,6]-3:C[5,6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH)	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	124.7580	0.000	1	124.7580	0.000	1	124.7580	0.000	1	125.0800	0.207	2	125.0800	0.207	2	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,5,6]	N[5a]	4:3:3:	3:3:4:4:	3:3:1:	C[5,5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5,5]-4:C[5]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,8|H<1>}	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	123.6170	0.000	1	123.6170	0.000	1	123.6170	0.000	1	123.6170	0.000	1	124.3065	0.951	2	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,5,6]	N[5a]	4:3:3:	4:3:4:4:	3:3:1:	C[5,5,6]-4:C[5a,6]-3:N[5a]-3:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,3|C<4>}	124.9960	0.000	1	124.9960	0.000	1	124.9960	0.000	1	124.9960	0.000	1	124.3065	0.951	2	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6,6]	N[5a]	4:3:3:	3:4:3:3:	3:3:1:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	124.3277	2.473	3	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6,6]	N[5a]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	125.3130	0.000	1	125.3130	0.000	1	125.3130	0.000	1	125.3130	0.000	1	124.3277	2.473	3	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6,6]	N[5a]	4:3:3:	4:4:3:1:	3:2:4:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3){2|H<1>,3|C<4>}	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	124.3277	2.473	3	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:2:2:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	127.1580	0.000	1	126.9103	0.031	4	126.9103	0.031	4	126.9103	0.031	4	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:2:2:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	126.8277	0.076	3	126.9103	0.031	4	126.9103	0.031	4	126.9103	0.031	4	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:2:4:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	127.7140	0.000	1	127.7140	0.000	1	127.7140	0.000	1	127.7533	0.361	3	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:2:4:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	128.3730	0.000	1	128.3730	0.000	1	127.7730	0.720	2	127.7533	0.361	3	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:2:4:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:O[5,6]-2:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	127.1730	0.000	1	127.1730	0.000	1	127.7730	0.720	2	127.7533	0.361	3	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:3:3:	3:2:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3){1|C<4>,4|C<3>}	127.2350	0.000	1	127.2350	0.000	1	127.2350	0.000	1	127.2350	0.000	1	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH){1|H<1>,1|N<3>,5|C<3>}	129.2580	0.000	1	129.2580	0.000	1	129.2580	0.000	1	129.2580	0.000	1	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	124.1670	0.000	1	124.1670	0.000	1	124.1670	0.000	1	124.1075	0.007	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	124.1075	0.007	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.6120	0.099	3	124.6120	0.010	3	124.2006	0.429	14	124.2006	0.429	14	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	124.5370	0.000	1	124.0884	0.491	11	124.2006	0.429	14	124.2006	0.429	14	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.0435	0.722	10	124.0884	0.491	11	124.2006	0.429	14	124.2006	0.429	14	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:3:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.5230	0.000	1	124.5230	0.000	1	124.7450	0.099	2	124.7450	0.099	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:3:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.9670	0.000	1	124.9670	0.000	1	124.7450	0.099	2	124.7450	0.099	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	125.3260	0.000	1	125.3260	0.000	1	124.3819	0.515	9	124.3819	0.515	9	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	124.9610	0.000	1	124.7968	0.118	4	124.3819	0.515	9	124.3819	0.515	9	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	125.0740	0.000	1	124.7968	0.118	4	124.3819	0.515	9	124.3819	0.515	9	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,4|C<4>}	124.3010	0.000	1	124.7968	0.118	4	124.3819	0.515	9	124.3819	0.515	9	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	124.8510	0.000	1	124.7968	0.118	4	124.3819	0.515	9	124.3819	0.515	9	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	124.0530	0.000	1	124.0530	0.000	1	124.3819	0.515	9	124.3819	0.515	9	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	124.1050	0.000	1	124.1050	0.000	1	124.3819	0.515	9	124.3819	0.515	9	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	123.3830	0.086	2	123.3830	0.007	2	124.3819	0.515	9	124.3819	0.515	9	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:3:4:4:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	124.6340	0.229	2	124.6340	0.052	2	124.6340	0.052	2	124.6340	0.052	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:2:2:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{1|C<4>,3|C<3>,9|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:2:2:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{2|C<4>,3|C<3>,8|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	126.4540	0.000	1	127.1265	0.905	2	127.1265	0.905	2	126.8268	0.554	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:2:2:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6,6]-4:S[5]-2:S[5]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(S[5]C[5])2{3|C<3>,3|C<4>,7|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	127.7990	0.000	1	127.1265	0.905	2	127.1265	0.905	2	126.8268	0.554	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:2:2:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[3,6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[3,6]HH)(S[5]C[5])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6](C[5a,6]C[5a,6a]C[3,6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|C<5>,1|H<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[3,6]HH)(S[5]C[5])2{1|H<2>,2|C<3>,2|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	126.3040	0.000	1	126.3040	0.000	1	126.6270	0.507	3	126.8268	0.554	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:2:2:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2{2|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	126.1340	0.000	1	126.1340	0.000	1	126.6270	0.507	3	126.8268	0.554	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:2:2:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	127.4430	0.000	1	127.4430	0.000	1	126.6270	0.507	3	126.8268	0.554	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:2:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]O[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]O[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	125.9790	0.000	1	125.9790	0.000	1	125.9790	0.000	1	125.9790	0.000	1	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO){2|C<4>,2|H<1>,3|C<3>}	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	125.5385	2.759	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	126.7130	0.000	1	126.7130	0.000	1	126.7130	0.000	1	125.5385	2.759	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	4:3:3:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.3550	0.000	1	125.3550	0.000	1	125.0875	0.143	2	125.0875	0.143	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	4:3:3:1:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	124.8200	0.000	1	124.8200	0.000	1	125.0875	0.143	2	125.0875	0.143	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	125.2110	0.000	1	125.5315	0.205	2	125.5315	0.205	2	125.5315	0.205	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	125.8520	0.000	1	125.5315	0.205	2	125.5315	0.205	2	125.5315	0.205	2	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]O)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]O)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	124.3710	0.000	1	124.3710	0.000	1	124.3710	0.000	1	124.3710	0.000	1	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:C[5a]-3:N[5,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	125.5870	0.000	1	125.5870	0.000	1	125.5870	0.000	1	125.5870	0.000	1	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.2580	0.000	1	124.2580	0.000	1	124.2580	0.000	1	124.2580	0.000	1	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	124.7260	0.000	1	124.7260	0.000	1	124.3838	0.314	5	124.3838	0.314	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){3|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	125.1820	0.000	1	124.5725	0.743	2	124.3838	0.314	5	124.3838	0.314	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	123.9630	0.000	1	124.5725	0.743	2	124.3838	0.314	5	124.3838	0.314	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	124.0240	0.253	2	124.0240	0.064	2	124.3838	0.314	5	124.3838	0.314	5	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.7610	0.000	1	124.7610	0.000	1	123.7443	0.777	3	123.7443	0.777	3	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.2360	0.061	2	123.2360	0.004	2	123.7443	0.777	3	123.7443	0.777	3	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3){1|C<3>,1|H<1>,2|C<4>}	130.1030	0.000	1	130.1030	0.000	1	128.1508	1.898	4	128.1508	1.898	4	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	126.8750	0.000	1	127.5000	0.305	3	128.1508	1.898	4	128.1508	1.898	4	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	127.7010	0.000	1	127.5000	0.305	3	128.1508	1.898	4	128.1508	1.898	4	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	127.9240	0.000	1	127.5000	0.305	3	128.1508	1.898	4	128.1508	1.898	4	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[3x5,6]-4:C[5a,6]-3:N[5,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.4250	0.000	1	125.4250	0.000	1	125.4250	0.000	1	125.4250	0.000	1	125.2935	2.436	67	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5,5,6]	N[5a]	4:3:2:	4:4:4:3:	3:3:1:	C[5,5,6]-4:N[5a]-3:N[5a]-2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5,6]N[5a])(H)	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2){1|C<4>,2|C<3>,7|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5,6]N[5a])(H){1|O<1>,2|N<3>,3|C<4>}	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5,5]	N[5a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|C<4>,3|C<3>,6|H<1>}	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	120.6650	0.000	1	121.0266	0.315	7	121.0266	0.315	7	121.0266	0.315	7	121.0266	0.315	7	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5,5]	N[5a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<4>,1|S<1>,3|C<3>,6|H<1>}	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.0795	0.944	2	121.0266	0.315	7	121.0266	0.315	7	121.0266	0.315	7	121.0266	0.315	7	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5,5]	N[5a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5,5]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<4>,3|C<3>,6|H<1>}	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.0905	0.531	4	121.0266	0.315	7	121.0266	0.315	7	121.0266	0.315	7	121.0266	0.315	7	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5,6]	N[5a]	4:3:2:	4:4:3:2:	3:2:1:	C[5,6]-4:N[5a]-3:N[5a]-2:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC)	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC){2|N<2>,3|C<4>,4|H<1>}	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])(H){1|O<2>,2|C<4>}	124.8270	0.115	2	124.8270	0.013	2	124.8270	0.013	2	124.8270	0.013	2	122.2147	9.109	4	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5,6]	N[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]C[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){1|C<4>,2|C<3>,7|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]C[5a])(H){2|C<3>,2|C<4>,3|H<1>}	119.7020	0.000	1	119.7020	0.000	1	119.6025	0.020	2	119.6025	0.020	2	122.2147	9.109	4	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5,6]	N[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,6]C[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H){3|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,6]C[5a])(H){2|C<3>,2|C<4>,2|H<1>}	119.5030	0.000	1	119.5030	0.000	1	119.6025	0.020	2	119.6025	0.020	2	122.2147	9.109	4	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a,6a]	3:4:3:	3:4:2:2:	3:3:2:	N[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[5]-4:O[5]-2:C-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]C)(C[5a]C[5a]H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]C)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	123.1140	0.000	1	123.1140	0.000	1	123.1140	0.000	1	123.1140	0.000	1	123.1140	0.000	1	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:2:4:	3:3:3:4:	3:3:4:	N[5a]-3:N[5a]-2:C[5]-4:	N[5]-3:N[5]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C)	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C){2|C<4>,4|C<3>}	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	123.6050	0.000	1	123.6050	0.000	1	123.6050	0.000	1	123.6050	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.7410	0.000	1	121.7410	0.000	1	121.7410	0.000	1	120.0753	2.339	3	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.7510	0.000	1	119.7510	0.000	1	119.2425	0.517	2	120.0753	2.339	3	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	118.7340	0.000	1	118.7340	0.000	1	119.2425	0.517	2	120.0753	2.339	3	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:N[5]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|O<1>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	125.6050	0.000	1	125.6050	0.000	1	125.6050	0.000	1	125.2555	0.244	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:4:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5]){1|C<4>,4|H<1>,5|C<3>}	124.9060	0.000	1	124.9060	0.000	1	124.9060	0.000	1	125.2555	0.244	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	122.7130	0.000	1	122.7130	0.000	1	122.7130	0.000	1	122.7130	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:4:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]2C){1|N<4>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	120.8470	0.634	2	120.8470	0.401	2	120.8470	0.401	2	120.8470	0.401	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]2C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]2C){1|N<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO){1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,3|C<3>,3|C<4>}	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:4:2:	3:4:3:1:	3:3:2:	N[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:4:2:	3:4:3:1:	3:4:2:	N[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	125.8450	0.000	1	125.8450	0.000	1	125.8450	0.000	1	125.8450	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:4:2:	3:4:4:3:	3:2:4:	N[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:C[5]-4:C[5]-4:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)2(NCH)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH)	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)2(NCH){1|C<4>,2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	127.3640	0.000	1	127.3640	0.000	1	126.4490	0.690	3	126.4490	0.690	3	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:4:2:	3:4:4:3:	3:2:4:	N[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:C[5]-4:C[5]-4:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)2(NCH)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)2(NCH){1|C<4>,2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	125.9915	0.351	2	125.9915	0.124	2	126.4490	0.690	3	126.4490	0.690	3	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:4:3:	3:3:2:4:	3:3:3:	N[5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:4:3:	3:3:3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,8|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,5|C<3>}	121.0460	0.000	1	121.0460	0.000	1	121.0460	0.000	1	122.1904	0.556	5	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	3:4:3:	3:3:3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]2)(N[5a]C[5a,6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]2)(N[5a]C[5a,6a]H){2|O<1>,8|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2{1|N<3>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,6|C<3>}	122.4765	0.442	4	122.4765	0.195	4	122.4765	0.195	4	122.1904	0.556	5	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:3:2:1:	3:3:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<4>}	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	124.0803	0.625	4	124.0803	0.391	4	124.0803	0.391	4	124.0803	0.391	4	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:3:3:1:	3:3:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5,6a]-3:N[5]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	122.8310	0.000	1	122.8310	0.000	1	122.8310	0.000	1	122.8310	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:3:3:2:	3:2:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH){2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|O<2>,2|C<3>}	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:3:3:3:	3:2:1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H){2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|N<3>,2|C<3>}	125.8610	0.000	1	125.8610	0.000	1	125.8610	0.000	1	125.8610	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:3:4:1:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|S<2>,3|H<1>}	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	127.9850	0.000	1	127.9850	0.000	1	127.9850	0.000	1	127.9850	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:3:4:4:	3:3:1:	C[5]-4:N[5a]-3:N[5a]-2:	N[5,6]-3:C[5a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.5320	0.000	1	120.5320	0.000	1	120.5320	0.000	1	120.5320	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:4:3:1:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|H<1>,3|C<4>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,1|N<3>}	127.8350	0.000	1	127.8350	0.000	1	126.3104	2.355	5	126.3104	2.355	5	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:4:3:1:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>}	124.9435	0.117	2	124.9435	0.014	2	126.3104	2.355	5	126.3104	2.355	5	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:4:3:1:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	128.0580	0.000	1	128.0580	0.000	1	126.3104	2.355	5	126.3104	2.355	5	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:4:3:1:	3:2:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|N<2>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>}	125.7720	0.000	1	125.7720	0.000	1	126.3104	2.355	5	126.3104	2.355	5	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:2:	3:4:3:1:	3:3:4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a]){7|C<4>}	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	123.0950	0.000	1	123.0950	0.000	1	123.0950	0.000	1	123.0950	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5]O[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]N[5]O[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<4>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,3|H<1>}	122.4685	0.252	2	122.4685	0.064	2	122.4685	0.064	2	122.4685	0.064	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-3:N[5]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]O)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5]O)(C[5a]C[5a]H)(N[5a]C[5a]H){1|Ni<4>,1|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	119.7595	0.967	2	119.7595	0.934	2	119.7595	0.934	2	119.7595	0.934	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	123.4810	0.000	1	123.4810	0.000	1	123.4810	0.000	1	123.4810	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{6|H<1>,8|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){2|H<1>,3|C<3>}	121.1055	1.232	4	121.1055	1.517	4	121.1055	1.517	4	120.5536	2.661	5	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:3:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	120.5536	2.661	5	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.7040	0.000	1	121.7040	0.000	1	121.7040	0.000	1	121.7040	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	121.0900	0.375	3	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.2210	0.648	2	121.0900	0.375	3	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){2|C<4>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.6520	0.000	1	120.6520	0.000	1	121.2210	0.648	2	121.0900	0.375	3	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	121.7610	0.310	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:3:4:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	121.7610	0.310	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:4:2:1:	3:2:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|N<2>,2|O<2>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH){1|C<4>,1|O<2>,2|H<1>}	126.2350	1.022	2	126.2350	1.045	2	126.2350	1.045	2	126.2350	1.045	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH){1|O<2>,3|H<1>,4|C<4>}	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:N[5]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H){1|C<4>,2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	122.3180	1.052	4	122.3180	1.106	4	122.3180	1.106	4	122.3180	1.106	4	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:N[5a]-3:C[5a]-3:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	123.7860	0.000	1	123.7860	0.000	1	123.7860	0.000	1	123.7860	0.000	1	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,3|C<3>,4|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	122.6675	0.429	2	122.6675	0.184	2	122.6675	0.184	2	122.6675	0.184	2	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	4:4:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	120.1860	0.000	1	120.4527	0.411	3	120.4527	0.411	3	120.3628	0.306	4	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	4:4:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	121.1840	0.000	1	120.4527	0.411	3	120.4527	0.411	3	120.3628	0.306	4	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	4:4:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	119.9880	0.000	1	120.4527	0.411	3	120.4527	0.411	3	120.3628	0.306	4	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP2_SP3	C[5a]	C[5]	N[5a]	4:3:3:	4:4:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	120.3628	0.306	4	122.6318	5.771	72	127.4212	30.351	250
727	474	813	0:SP2_SP3_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH){4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H){1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	135.3910	0.000	1	135.3910	0.000	1	135.3910	0.000	1	135.3910	0.000	1	134.0695	3.493	2	129.0127	14.111	7
727	474	813	0:SP2_SP3_SP3	C[5,5a]	C[5]	N[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[3x5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[3x5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[3x5]HH){2|C<4>,4|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2{1|C<4>,1|O<2>,1|S<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	132.7480	0.000	1	132.7480	0.000	1	132.7480	0.000	1	132.7480	0.000	1	134.0695	3.493	2	129.0127	14.111	7
727	474	813	0:SP2_SP3_SP3	C[5a,6]	C[5,6]	N[5a]	3:4:3:	3:4:3:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO){2|C<4>,2|H<1>,3|C<3>}	124.7750	0.000	1	124.7750	0.000	1	124.7750	0.000	1	124.7750	0.000	1	126.9900	2.394	5	129.0127	14.111	7
727	474	813	0:SP2_SP3_SP3	C[5a,6]	C[5,6]	N[5a]	4:3:3:	3:3:3:3:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SCOO)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SCOO){1|H<1>,1|O<2>,5|C<3>}	127.5438	1.071	4	127.5438	1.147	4	127.5438	1.147	4	127.5438	1.147	4	126.9900	2.394	5	129.0127	14.111	7
727	474	813	5:SP2_SP2_SP3	C[5,5a,6]	C[5,5,6]	N[5,5a,6]	3:4:2:	3:4:2:4:	3:4:2:	N[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	N[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a])	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	N[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	104.9970	0.000	1	104.9970	0.000	1	104.9970	0.000	1	104.9970	0.000	1	104.3620	0.806	2	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a,6]	C[5,5,6]	N[5,5a,6]	3:4:3:	3:4:2:4:	3:4:2:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	N[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a])	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	N[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a]){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	103.7270	0.000	1	103.7270	0.000	1	103.7270	0.000	1	103.7270	0.000	1	104.3620	0.806	2	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	3:4:2:	3:4:2:1:	3:3:4:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH){2|C<3>,2|O<2>,3|H<1>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	3:4:2:	3:4:3:1:	3:3:4:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a]){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	3:4:3:	3:4:4:2:	3:3:3:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	3:4:3:	4:3:2:1:	3:3:3:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	C[3x5]-4:C[5,5a]-3:O[5]-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H){3|C<3>,3|C<4>,6|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.7790	0.134	2	109.7790	0.018	2	109.6837	0.036	3	109.6837	0.036	3	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.4930	0.000	1	109.4930	0.000	1	109.6837	0.036	3	109.6837	0.036	3	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	4:3:3:	3:3:4:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	108.9740	0.329	4	108.9740	0.108	4	108.9740	0.108	4	109.5385	0.835	6	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	4:3:3:	3:3:4:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|C<4>,5|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,4|C<3>,7|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<4>,1|N<3>,4|H<1>}	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	109.5385	0.835	6	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5]	N[5,5a]	4:3:3:	3:3:4:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H){4|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	109.5385	0.835	6	109.6555	0.482	13	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5,5a]	3:4:3:	3:3:3:3:	3:3:3:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	108.7049	0.300	8	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5,5a]	3:4:3:	3:4:3:1:	3:3:4:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.4400	0.181	3	108.4400	0.033	3	108.4400	0.033	3	108.4400	0.033	3	108.7049	0.300	8	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5,5a]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	109.2250	0.109	2	109.2250	0.012	2	109.2250	0.012	2	109.2250	0.012	2	108.7049	0.300	8	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5,5a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,2|C<3>,5|H<1>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H){2|C<3>,4|H<1>}	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	108.7049	0.300	8	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5,6]	N[5,5a]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.7049	0.300	8	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:2:4:	3:2:1:1:	3:3:4:	N[5,5a]-3:N[5a]-2:C[5]-4:	C[5,5a]-3:S[5]-2:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH){1|H<1>,3|C<3>}	C[5](C[5,5a]N[5,5a]N[5a])(S[5]C[5])(H)2{1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	114.5538	0.552	8	114.5538	0.305	8	114.5538	0.305	8	114.5538	0.305	8	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:2:4:	3:4:4:1:	3:3:4:	N[5,5a]-3:N[5a]-2:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH){2|C<3>,4|H<1>}	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:2:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:S[5]-2:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]S[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5])(H)2	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H)	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]S[5]HH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5])(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:2:4:4:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]O[5]CC)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH){2|C<3>,2|C<4>,2|H<1>}	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|S<4>,3|C<3>,3|H<1>}	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){1|H<1>,6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	108.8386	0.601	5	108.8386	0.361	5	108.8386	0.361	5	108.8386	0.361	5	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H){8|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){3|H<1>,6|C<3>}	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	107.8060	0.092	2	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:N-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|N<3>,3|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	107.8060	0.092	2	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:3:4:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C){8|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|C<4>,2|H<1>,6|C<3>}	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH){6|C<3>}	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	109.8792	0.480	5	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:4:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH){1|C<2>,5|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	109.8792	0.480	5	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:4:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<1>,1|P<4>,6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|O<1>,2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|P<4>,3|H<1>,4|C<3>}	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	109.8792	0.480	5	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:4:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	108.6520	0.000	1	108.6520	0.000	1	109.3815	1.064	2	109.8792	0.480	5	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:4:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){2|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	110.1110	0.000	1	110.1110	0.000	1	109.3815	1.064	2	109.8792	0.480	5	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:3:4:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5]-3:C-4:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[5]H)(CH3)(COO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[5]H)(CH3)(COO){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	110.7630	0.000	1	110.4525	0.193	2	110.0513	0.302	7	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	110.1420	0.000	1	110.4525	0.193	2	110.0513	0.302	7	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	109.3530	0.000	1	109.3530	0.000	1	110.0513	0.302	7	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.2623	0.258	3	110.2623	0.067	3	110.0513	0.302	7	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,5|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.3140	0.000	1	109.3140	0.000	1	110.0513	0.302	7	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<2>,2|C<3>,5|H<1>}	110.3655	0.146	2	109.9260	0.590	3	109.4417	0.545	6	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	109.0470	0.000	1	109.9260	0.590	3	109.4417	0.545	6	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){4|H<1>,6|C<3>}	108.6600	0.000	1	108.6600	0.000	1	109.4417	0.545	6	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){5|C<3>,5|H<1>}	109.1060	0.075	2	109.1060	0.006	2	109.4417	0.545	6	109.7699	0.478	13	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){2|C<3>,4|H<1>}	109.7404	0.434	19	109.7404	0.188	19	109.7852	0.207	21	109.9620	0.885	22	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH){1|C<4>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<4>,1|S<4>,4|H<1>}	110.6330	0.000	1	110.6330	0.000	1	109.7852	0.207	21	109.9620	0.885	22	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH){1|C<4>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{2|N<2>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<4>,4|H<1>}	109.7880	0.000	1	109.7880	0.000	1	109.7852	0.207	21	109.9620	0.885	22	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:S[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5]OO)(H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5a]N[5,5a]C[5a])(S[5]C[5]OO)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	109.9620	0.885	22	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:2:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:N-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	109.4770	0.033	2	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:2:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:O-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.4770	0.033	2	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:3:2:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-3:O-2:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO){2|Br<1>,2|C<4>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:4:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH){1|C<3>,5|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	111.5195	0.047	2	111.5195	0.002	2	110.9497	0.975	3	110.3710	0.877	6	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:4:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,5|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	109.8100	0.000	1	109.8100	0.000	1	110.9497	0.975	3	110.3710	0.877	6	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:4:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	110.2170	0.000	1	110.2170	0.000	1	109.7923	0.212	3	110.3710	0.877	6	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:4:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	109.3030	0.000	1	109.3030	0.000	1	109.7923	0.212	3	110.3710	0.877	6	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:4:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	109.8570	0.000	1	109.8570	0.000	1	109.7923	0.212	3	110.3710	0.877	6	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:4:2:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C-4:O-2:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO){2|Br<1>,2|C<4>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:1:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	108.9210	0.000	2	108.9210	0.000	2	108.8027	0.042	3	108.8027	0.042	3	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:1:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|C<3>,5|H<1>}	108.5660	0.000	1	108.5660	0.000	1	108.8027	0.042	3	108.8027	0.042	3	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:3:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	109.1315	4.883	2	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:3:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C){1|O<1>,5|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	109.1315	4.883	2	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:3:3:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|O<1>,3|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){3|H<1>,4|C<3>}	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:4:1:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN){1|C<4>,3|H<1>,4|C<3>}	110.1340	0.000	1	110.1340	0.000	1	110.0470	1.464	7	110.0470	1.464	7	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:4:1:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	108.6730	0.000	1	110.0325	1.755	6	110.0470	1.464	7	110.0470	1.464	7	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:4:1:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){2|H<1>,6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	110.3044	1.280	5	110.0325	1.755	6	110.0470	1.464	7	110.0470	1.464	7	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:4:2:	3:3:2:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C-4:O-2:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a])	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O){2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.3940	0.324	2	110.3940	0.105	2	110.3940	0.105	2	110.3940	0.105	2	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,5a]	C[5]	N[5,5a]	3:4:3:	3:4:3:4:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5,5]C[5]2N[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H){1|N<3>,2|C<4>,5|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5,5]C[5]2N[5]){2|C<4>,5|H<1>,6|C<3>}	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.1592	2.987	90	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5,5]	N[5,6a]	3:4:3:	3:4:2:2:	3:3:4:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,7|H<1>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	107.7400	0.000	1	107.7400	0.000	1	107.7570	0.001	2	107.7570	0.001	2	108.1787	0.269	4	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5,5]	N[5,6a]	3:4:3:	3:4:2:2:	3:3:4:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,7|H<1>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<2>,1|C<3>,2|O<2>,3|H<1>}	107.7740	0.000	1	107.7740	0.000	1	107.7570	0.001	2	107.7570	0.001	2	108.1787	0.269	4	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5,5]	N[5,6a]	4:3:2:	4:3:3:4:	3:3:3:	C[5,5]-4:N[5,6a]-3:N[6a]-2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<4>,4|C<3>}	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.1787	0.269	4	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5,5]	N[5,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[5,5]-4:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O){1|C<3>,2|O<2>,4|H<1>}	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	108.1787	0.269	4	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5,6]	N[5,5a,6a]	3:4:3:	3:3:3:3:	3:3:3:	N[5,5a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a])	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a]){2|H<1>,6|C<3>}	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:2:4:	3:3:4:2:	3:3:4:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:2:4:	3:3:4:4:	3:3:3:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:2:4:	3:4:1:1:	3:3:4:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:2:4:	3:4:2:1:	3:3:4:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:2:4:	3:4:4:1:	3:3:4:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.0715	0.114	2	109.0715	0.013	2	109.0715	0.013	2	109.0715	0.013	2	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	107.3830	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O){2|C<3>,3|C<4>,5|H<1>}	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){3|C<3>,4|H<1>}	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.6825	0.941	6	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	108.3568	0.703	4	108.3568	0.494	4	108.7496	1.142	5	108.6825	0.941	6	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|Cl<1>,1|N<2>,4|H<1>}	110.3210	0.000	1	110.3210	0.000	1	108.7496	1.142	5	108.6825	0.941	6	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,4|H<1>}	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:4:2:	3:3:3:2:	3:3:3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a]){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:4:2:	3:3:3:3:	3:3:3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,7|C<3>}	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:4:2:	3:3:4:2:	3:3:3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC){1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	108.8185	0.228	2	108.8185	0.052	2	108.8185	0.052	2	108.7553	0.038	3	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP2_SP3	C[5,6a]	C[5]	N[5,6a]	3:4:2:	3:3:4:2:	3:3:3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a]){1|C<4>,1|F<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH){1|O<1>,3|H<1>,6|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	108.7553	0.038	3	108.7924	0.610	20	109.6613	2.968	138
727	474	813	5:SP2_SP3_SP3	C[5,5a]	C[5]	N[5,5a]	3:3:4:	3:2:4:4:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC){1|O<1>,2|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3){1|C<4>,1|O<1>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1
727	474	813	6:SP2_SP2_SP3	C[5a,6,6]	C[5,6,6]	N[5a,6,6]	3:3:4:	3:3:3:2:	3:3:4:	C[5a,6,6]-3:N[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	C[5a,6,6]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(N[5a,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO)	N[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])2(C[5,6,6]C[5,6,6a]2Br)	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(N[5a,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO){2|C<4>,6|C<3>}	N[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])2(C[5,6,6]C[5,6,6a]2Br){2|C<4>,2|O<2>,6|C<3>}	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	3:3:4:	4:3:4:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[5,6]-4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H){7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){2|C<4>,3|H<1>,5|C<3>}	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	3:4:3:	3:3:3:1:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H){1|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){2|C<3>,2|N<3>,4|H<1>}	114.4800	0.000	1	114.4800	0.000	1	114.4800	0.000	1	114.4800	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	3:4:3:	3:3:3:4:	3:3:4:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.3000	0.282	4	119.3000	0.079	4	119.3000	0.079	4	119.3000	0.079	4	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	3:4:3:	3:3:4:1:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	3:4:3:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	117.5560	1.096	2	117.5560	1.201	2	117.5560	1.201	2	117.7970	0.775	3	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	3:4:3:	3:3:4:4:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	117.7970	0.775	3	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	3:4:3:	3:4:2:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a,6]-3:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6])	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	3:4:3:	3:4:3:1:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:2:	3:3:3:3:	3:3:3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO){1|O<1>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	121.3130	0.000	1	121.3130	0.000	1	121.3130	0.000	1	121.3130	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:2:	3:4:2:4:	3:3:4:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF)	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<1>,2|C<3>,2|F<1>,2|H<1>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:2:	3:4:4:1:	3:3:3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	121.1810	0.264	2	121.1810	0.070	2	121.1810	0.070	2	121.1810	0.070	2	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:2:	3:4:4:4:	3:3:4:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	122.9255	0.228	2	122.9255	0.052	2	122.9255	0.052	2	122.9255	0.052	2	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:3:1:	3:3:4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,3|H<1>}	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:C[5a,6]-3:N[6]-3:C[5]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:4:3:	4:3:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	121.3157	0.518	3	121.3157	0.268	3	121.3157	0.268	3	121.3157	0.268	3	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:4:2:1:	3:4:2:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a])	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>,3|C<4>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.0950	0.000	1	122.0950	0.000	1	122.0950	0.000	1	122.0950	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:4:3:1:	3:3:4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.3280	0.000	1	117.3280	0.000	1	117.3280	0.000	1	117.3280	0.000	1	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:4:4:1:	3:4:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|O<2>,3|C<4>,3|H<1>}	118.8990	0.000	1	118.8990	0.000	1	119.0115	0.025	2	119.0115	0.025	2	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP2_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:4:4:1:	3:4:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.1240	0.000	1	119.1240	0.000	1	119.0115	0.025	2	119.0115	0.025	2	119.7876	4.215	27	119.9069	4.457	28
727	474	813	6:SP2_SP3_SP3	C[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:4:3:	4:3:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1
727	474	933	0:SP2_SP2_SP3	C[5,6,6a]	C[5,5,6]	O[6a]	4:3:2:	4:3:2:4:	3:3:	C[5,5,6]-4:C[5,6,6a]-3:O[6a]-2:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C-4:	C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3)	O[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	122.7370	1.048	4	122.7370	1.099	4	122.7370	1.099	4	122.7370	1.099	4	122.7370	1.099	4	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5,6]	O[6a]	3:4:2:	3:4:3:4:	3:3:	C[5,6a]-3:C[5,6]-4:O[6a]-2:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:C[6]-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a])	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a]){2|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){3|C<4>,4|C<3>,4|H<1>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6]){1|H<1>,3|C<4>,4|C<3>}	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:2:4:	3:2:4:4:	3:3:	C[5,6a]-3:O[6a]-2:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	O[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]CC){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.1270	0.000	1	120.1270	0.000	1	120.1270	0.000	1	120.1270	0.000	1	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	3:2:1:1:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(H)2	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]HH)(O[6a]C[6a]){2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(H)2{1|O<1>,2|C<3>}	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O){1|O<2>,2|H<1>,3|C<3>}	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	3:2:4:4:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O){1|O<2>,2|C<4>,3|C<3>}	120.9830	0.000	1	120.9830	0.000	1	121.8517	0.651	3	121.8517	0.651	3	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	3:2:4:4:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>}	122.2860	0.413	2	122.2860	0.171	2	121.8517	0.651	3	121.8517	0.651	3	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	3:3:3:3:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(O[6a]C[6a,6a]){1|O<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{4|H<1>,9|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,7|C<3>}	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	3:3:4:4:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a]){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2{1|H<1>,4|C<3>}	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>}	119.1800	0.000	1	119.1800	0.000	1	119.1800	0.000	1	119.1800	0.000	1	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	3:4:1:1:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	121.2290	0.000	1	121.2290	0.000	1	121.2290	0.000	1	121.2290	0.000	1	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	3:4:3:1:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H){2|C<3>,2|H<1>,3|C<4>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	118.4010	0.685	4	118.4010	0.469	4	118.7271	0.711	8	118.7271	0.711	8	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	3:4:3:1:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	119.0533	0.952	4	119.0533	0.907	4	118.7271	0.711	8	118.7271	0.711	8	119.8777	2.150	18	120.2808	3.341	23
727	474	933	0:SP2_SP2_SP3	C[5,6a]	C[5]	O[6a]	3:4:2:	4:3:1:1:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a])	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2{1|H<1>,2|C<3>,4|C<4>}	O[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	120.1765	0.599	2	120.1765	0.359	2	120.1765	0.359	2	120.1765	0.359	2	119.8777	2.150	18	120.2808	3.341	23
727	478	519	0:SP2_SP2_SP3	C[5a]	C[4]	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C[4]-4:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H)	C[4](C[5a]N[5a]O[5a])(C[4]C[5a]C[4]H)(C[4]C[6a]C[4]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[5a]N[5a]O[5a])(C[4]C[5a]C[4]H)(C[4]C[6a]C[4]H)(H){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	127.4520	0.171	2	127.4520	0.029	2	128.1406	2.917	10	128.1406	2.917	10	124.9290	20.489	18	124.9290	20.489	18
727	478	519	0:SP2_SP2_SP3	C[5a]	C[4]	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C[4]-4:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H)	C[4](C[5a]N[5a]O[5a])(C[4]C[6a]C[4]H)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[5a]N[5a]O[5a])(C[4]C[6a]C[4]H)2(H){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	128.3127	1.891	8	128.3127	3.577	8	128.1406	2.917	10	128.1406	2.917	10	124.9290	20.489	18	124.9290	20.489	18
727	478	519	0:SP2_SP2_SP3	C[5a]	C[4]	N[5a]	3:2:4:	4:4:3:1:	3:3:	N[5a]-3:N[5a]-2:C[4]-4:	C[4]-4:C[4]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[5a]N[5a]2)(H){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4]){2|C<3>,2|C<4>,3|H<1>}	125.1293	0.676	3	125.1293	0.456	3	125.1293	0.456	3	125.1293	0.456	3	124.9290	20.489	18	124.9290	20.489	18
727	478	519	0:SP2_SP2_SP3	C[5a]	C[4]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[4]-4:N[5a]-2:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a])	C[4](C[5a]C[5a]N[5a])(C[4]C[4]HH)2(H)	N[5a](C[5a]C[5a]C[4])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	C[4](C[5a]C[5a]N[5a])(C[4]C[4]HH)2(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C[4])(C[5a]S[5a]N){2|C<4>,2|H<1>}	118.3856	0.975	5	118.3856	0.950	5	118.3856	0.950	5	118.3856	0.950	5	124.9290	20.489	18	124.9290	20.489	18
727	478	537	0:SP2_SP2_SP3	C[5,5a]	C[4,5,5]	O[5a]	4:3:2:	4:4:3:2:	3:3:	C[4,5,5]-4:C[5,5a]-3:O[5a]-2:	C[4,5,5]-4:C[4,5,5]-4:C[5,5a]-3:O[5]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Ge[5])(O[5a]C[5a,6a])	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Ge[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a])	O[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Ge[5])(O[5a]C[5a,6a]){1|Ge<4>,1|C<4>,7|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Ge[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a]){12|C<3>,1|O<2>}	O[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|Ge<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.5040	0.000	1	122.5040	0.000	1	122.7970	0.172	2	122.7970	0.172	2	122.7970	0.172	2	116.4285	6.389	22
727	478	537	0:SP2_SP2_SP3	C[5,5a]	C[4,5,5]	O[5a]	4:3:2:	4:4:3:2:	3:3:	C[4,5,5]-4:C[5,5a]-3:O[5a]-2:	C[4,5,5]-4:C[4,5,5]-4:C[5,5a]-3:O[5]-2:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Si[5])(O[5a]C[5a,6a])	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Si[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a])	O[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Si[5])(O[5a]C[5a,6a]){1|Si<4>,1|C<4>,7|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Si[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a]){12|C<3>,1|O<2>}	O[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|Si<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.0900	0.000	1	123.0900	0.000	1	122.7970	0.172	2	122.7970	0.172	2	122.7970	0.172	2	116.4285	6.389	22
727	478	537	0:SP2_SP2_SP3	C[5a]	C[4]	O[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C[4]-4:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H)	C[4](C[5a]N[5a]O[5a])(C[4]C[5a]C[4]H)(C[4]C[6a]C[4]H)(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[5a]N[5a]O[5a])(C[4]C[5a]C[4]H)(C[4]C[6a]C[4]H)(H){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	116.5440	0.161	2	116.5440	0.026	2	116.0197	3.003	10	116.0197	3.003	10	115.7917	2.356	20	116.4285	6.389	22
727	478	537	0:SP2_SP2_SP3	C[5a]	C[4]	O[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C[4]-4:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H)	C[4](C[5a]N[5a]O[5a])(C[4]C[6a]C[4]H)2(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[5a]N[5a]O[5a])(C[4]C[6a]C[4]H)2(H){1|H<1>,7|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	115.8886	1.939	8	115.8886	3.759	8	116.0197	3.003	10	116.0197	3.003	10	115.7917	2.356	20	116.4285	6.389	22
727	478	537	0:SP2_SP2_SP3	C[5a]	C[4]	O[5a]	3:4:2:	3:4:3:1:	3:3:	C[5a]-3:C[4]-4:O[5a]-2:	C[5a]-3:C[4]-4:C[4]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a])	C[4](C[5a]C[5a]O[5a])(C[4]C[6a]N[4]H)(C[4]N[4]O)(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[5a]C[5a]O[5a])(C[4]C[6a]N[4]H)(C[4]N[4]O)(H){1|H<1>,5|C<3>}	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	114.4675	0.887	2	114.4675	0.788	2	114.4675	0.788	2	114.4675	0.788	2	115.7917	2.356	20	116.4285	6.389	22
727	478	537	0:SP2_SP2_SP3	C[5a]	C[4]	O[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[4]-4:O[5a]-2:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[4]C[4]2H)(O[5a]C[5a])	C[4](C[5a]C[5a]O[5a])(C[4]C[4]CH)(C[4]C[4]HO)(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C[4])	C[5a](C[5a]C[5a]C)(C[4]C[4]2H)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4](C[5a]C[5a]O[5a])(C[4]C[4]CH)(C[4]C[4]HO)(H){4|C<3>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C[4]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.3080	0.000	1	113.3080	0.000	1	115.5634	1.849	5	115.5634	1.849	5	115.7917	2.356	20	116.4285	6.389	22
727	478	537	0:SP2_SP2_SP3	C[5a]	C[4]	O[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[4]-4:O[5a]-2:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a])	C[4](C[5a]C[5a]O[5a])(C[4]C[4]CH)2(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[4](C[5a]C[5a]O[5a])(C[4]C[4]CH)2(H){2|H<1>,3|C<3>}	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){2|C<4>,3|H<1>}	116.1273	0.588	4	116.1273	0.345	4	115.5634	1.849	5	115.5634	1.849	5	115.7917	2.356	20	116.4285	6.389	22
727	478	537	0:SP2_SP2_SP3	C[5a]	C[4]	O[5a]	4:3:2:	3:3:4:1:	3:3:	C[4]-4:C[5a]-3:O[5a]-2:	C[5a]-3:N[4]-3:C[4]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[4]C[4]N[4]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[4](C[5a]C[5a]O[5a])(N[4]C[6a]C[4])(C[4]C[4]HO)(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[4]C[4]N[4]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[4](C[5a]C[5a]O[5a])(N[4]C[6a]C[4])(C[4]C[4]HO)(H){1|H<1>,1|O<1>,4|C<3>}	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	115.7917	2.356	20	116.4285	6.389	22
727	478	537	0:SP2_SP2_SP3	C[5a]	C[4]	O[5a]	4:3:2:	4:4:3:1:	3:3:	C[4]-4:C[5a]-3:O[5a]-2:	C[4,6]-4:C[4]-4:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[4]C[4,6]C[4]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[5a]H)(C[5a]C[5a]O[5a])(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[4]C[4,6]C[4]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[5a]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){2|C<4>,3|H<1>}	115.8320	1.797	2	115.8320	3.231	2	115.8320	3.231	2	115.8320	3.231	2	115.7917	2.356	20	116.4285	6.389	22
727	478	643	0:SP2_SP2_SP3	C[5,5,6a]	C[4,5,5]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,5,6a]-3:C[6a,6a]-3:C[4,5,5]-4:	C[5,5,6a]-3:C[4,5]-4:C[4,5]-4:H-1:	C[5,5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[6a,6a]C[6a])(C[4,5,5]C[4,5]2H)	C[4,5,5](C[5,5,6a]C[5,5,6a]C[6a,6a])(C[4,5]C[4,5,5]HH)2(H)	C[6a,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[5,5,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[6a,6a]C[6a])(C[4,5,5]C[4,5]2H){1|C<4>,3|C<3>,6|H<1>}	C[4,5,5](C[5,5,6a]C[5,5,6a]C[6a,6a])(C[4,5]C[4,5,5]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[5,5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	134.2577	0.313	3	134.2577	0.098	3	134.2577	0.098	3	134.2577	0.098	3	134.2577	0.098	3	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[4,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5,5]-4:C[4,6]-4:O[5,6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5,5,6](C[5,6a]C[5,6a]C[6a])(C[4,5,5]C[4]C[5]2)(C[4,6]C[4]C[6]H)(O[5,6]C[5,6])	C[6a](C[5,6a]C[4,5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[4,5,5,6](C[5,6a]C[5,6a]C[6a])(C[4,5,5]C[4]C[5]2)(C[4,6]C[4]C[6]H)(O[5,6]C[5,6]){1|O<1>,3|C<3>,7|H<1>}	C[6a](C[5,6a]C[4,5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	129.4560	0.000	1	129.4560	0.000	1	129.4560	0.000	1	129.4560	0.000	1	129.4560	0.000	1	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[4,5,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	129.4890	0.000	1	129.4890	0.000	1	129.4890	0.000	1	129.4890	0.000	1	129.7786	2.904	7	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:C[4]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5,5]C[4]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]C[5]HH)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]C[5]HH){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	128.5970	0.000	1	128.5970	0.000	1	128.5970	0.000	1	128.9405	0.236	2	129.7786	2.904	7	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5]C[6a]C[4]N[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[4,5,5](C[4,5]C[6a]C[4]N[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5]C[5]HH){5|H<1>,7|C<3>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	129.2840	0.000	1	129.2840	0.000	1	129.2840	0.000	1	128.9405	0.236	2	129.7786	2.904	7	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]C[5])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,4|C<3>,6|H<1>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]C[5])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	128.3805	0.494	2	128.3805	0.244	2	128.3805	0.244	2	130.2700	4.912	4	129.7786	2.904	7	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,6a]-3:Ge[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]O[5])2(C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,5a]C[6a]2)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]O[5])2(C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,5a]C[6a]2){10|C<3>,1|Ge<4>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	131.8350	0.000	1	131.8350	0.000	1	131.8350	0.000	1	130.2700	4.912	4	129.7786	2.904	7	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,6a]-3:Si[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]O[5])2(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,5a]C[6a]2)	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]O[5])2(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,5a]C[6a]2){10|C<3>,1|Si<4>,1|H<1>,2|O<2>}	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	132.4840	0.000	1	132.4840	0.000	1	132.4840	0.000	1	130.2700	4.912	4	129.7786	2.904	7	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[4,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[4,5,6](C[4,5,6]C[6,6a]C[4]O[5])(C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)	C[6a,6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[4,5,6]C[6,6a]C[4]O[5])(C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH){1|H<1>,2|C<4>,7|C<3>}	C[6a,6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	134.3670	0.000	1	134.3670	0.000	1	134.3670	0.000	1	134.3670	0.000	1	134.3670	0.000	1	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[4,6a]-3:C[5,6a]-3:C[4,6]-4:N[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[6]S[5])	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[6]S[5]){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	126.5940	0.000	1	126.5940	0.000	1	126.5940	0.000	1	126.5940	0.000	1	130.9226	9.567	5	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CC)	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,6|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CC){4|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	132.4810	0.000	1	132.4810	0.000	1	132.4810	0.000	1	132.4810	0.000	1	130.9226	9.567	5	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:2:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,3|H<1>,6|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	134.9170	0.000	1	134.9170	0.000	1	134.9170	0.000	1	134.9170	0.000	1	130.9226	9.567	5	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6,6]-4:C[5,6a]-3:C[4]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6,6]C[4,6]N[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(C[6]C[6]O)	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6,6]C[4,6]N[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.7570	0.000	1	130.7570	0.000	1	130.7570	0.000	1	130.7570	0.000	1	130.9226	9.567	5	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[4,5,6]-4:C[5,6a]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5,6](C[4,5]C[5,6a]C[5]O[4])(C[4,5,6]N[5]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[3,6])	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[4,5,6](C[4,5]C[5,6a]C[5]O[4])(C[4,5,6]N[5]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[3,6]){1|H<1>,1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	129.8640	0.000	1	129.8640	0.000	1	129.8640	0.000	1	129.8640	0.000	1	130.9226	9.567	5	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:C[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]C)(C[4]C[4]P)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){1|C<2>,1|P<4>,2|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]C)(C[4]C[4]P){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	129.5620	0.385	2	129.5620	0.148	2	129.5620	0.148	2	129.5620	0.148	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4]-4:C[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4]C[6a]C[4]H)(C[4]C[4]C)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4]C[6a]C[4]H)(C[4]C[4]C){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	129.3675	0.409	2	129.3675	0.168	2	129.3675	0.168	2	129.3675	0.168	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:N[4,5a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a,6a]C[6a])(C[4,5]C[5,6a]N[4,5a]H)(N[4,5a]N[4,5a]C[5a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a,6a]C[6a])(C[4,5]C[5,6a]N[4,5a]H)(N[4,5a]N[4,5a]C[5a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	132.7185	0.340	2	132.7185	0.116	2	132.7185	0.116	2	132.7185	0.116	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a,6a]C[6a])(C[4,5]C[5,6a]C[4,5]H)2(H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a,6a]C[6a])(C[4,5]C[5,6a]C[4,5]H)2(H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	132.7420	0.243	2	132.7420	0.059	2	132.7420	0.059	2	127.7290	6.831	11	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:Cl-1:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl){4|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl){2|Cl<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(Cl){2|Cl<1>,2|C<3>,2|C<4>}	128.1810	0.000	1	128.1810	0.000	1	128.1810	0.000	1	127.7290	6.831	11	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	127.3560	0.000	1	127.3560	0.000	1	127.5590	0.082	2	127.7290	6.831	11	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:Cl-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	127.7620	0.000	1	127.7620	0.000	1	127.5590	0.082	2	127.7290	6.831	11	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]S[5]C)2(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,2|O<1>,3|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]S[5]C)2(H){2|H<1>,4|C<3>,4|O<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	126.0393	0.321	6	126.0393	0.103	6	126.0393	0.103	6	127.7290	6.831	11	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4]-4:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(C[4]C[4]HH)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(C[4]C[4]HH)(C[5]C[5]N){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	129.5200	0.000	1	129.5200	0.000	1	129.5200	0.000	1	129.5200	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[4,5](C[4,5]C[4,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[4,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	131.7420	0.000	1	131.7420	0.000	1	131.7420	0.000	1	131.7420	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	4:3:4:2:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]H)(OC)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]H)(OC){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	130.2890	0.207	3	130.2890	0.043	3	129.7175	1.335	4	129.7175	1.335	4	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	4:3:4:2:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:O-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]O)(OC[5])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]O)(OC[5]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	128.0030	0.000	1	128.0030	0.000	1	129.7175	1.335	4	129.7175	1.335	4	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	3:4:3:	4:4:3:1:	3:3:1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[6a]O[4]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[6a]O[4]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	132.0030	0.000	1	132.0030	0.000	1	132.0030	0.000	1	132.0030	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4,5]-3:C[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a]){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	128.6205	0.285	2	128.6205	0.081	2	128.6205	0.081	2	127.7235	1.100	4	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4,5]-3:C[4]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[4]C[4]C)(COO)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[4]C[4]C)(COO){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	126.8265	0.005	2	126.8265	0.000	2	126.8265	0.000	2	127.7235	1.100	4	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4,5]-3:C[6a]-3:C[4]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[6a]C[6a]2)(C[4]C[4]HH){2|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-3:C[4]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5])(C[4]C[4]CC)(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5])(C[4]C[4]CC)(H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	131.5290	0.000	1	131.5290	0.000	1	131.5290	0.000	1	131.5290	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,6a]-3:C[5,6a]-3:C[4]-4:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6a]CC)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6a]CC)(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	131.0770	0.000	1	131.0770	0.000	1	131.0770	0.000	1	131.0770	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4,5]-4:C[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[5,6a]2C[4])(C[4]C[4]C[5])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[5,6a]2C[4])(C[4]C[4]C[5]){11|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	130.0867	0.570	4	130.0867	0.325	4	130.0867	0.325	4	130.7537	1.283	6	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4]-3:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4]C[6a]C[4])(C[4]C[4]CC)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4]C[6a]C[4])(C[4]C[4]CC)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	132.3160	0.000	1	132.3160	0.000	1	132.0875	0.104	2	130.7537	1.283	6	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4]-3:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4]C[6a]C[4])(C[4]C[4]HO)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4]C[6a]C[4])(C[4]C[4]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	131.8590	0.000	1	131.8590	0.000	1	132.0875	0.104	2	130.7537	1.283	6	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4,5]-4:Ge[4]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[5]O[4]O[5])(Ge[4]C[6a]2O[4])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[5]O[4]O[5])(Ge[4]C[6a]2O[4]){10|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	129.8955	0.674	2	129.8955	0.454	2	129.8955	0.454	2	129.8955	0.454	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,4]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	128.8340	0.000	1	128.8340	0.000	1	128.8340	0.000	1	129.6489	0.455	7	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O[4]C[4,5])(C[5]N[5]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	130.0470	0.000	1	130.0470	0.000	1	129.7847	0.391	6	129.6489	0.455	7	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(C[5]N[5]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	130.0190	0.000	1	130.0190	0.000	1	129.7847	0.391	6	129.6489	0.455	7	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	129.9640	0.420	2	129.5007	0.732	3	129.7847	0.391	6	129.6489	0.455	7	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	128.5740	0.000	1	129.5007	0.732	3	129.7847	0.391	6	129.6489	0.455	7	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[5]H)(O[4]C[4,5])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	130.1400	0.000	1	130.1400	0.000	1	129.7847	0.391	6	129.6489	0.455	7	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]C)(C[4]C[6a]C[4])(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]C)(C[4]C[6a]C[4])(H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	128.7970	0.000	1	128.7970	0.000	1	128.7970	0.000	1	128.7970	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:O[4]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HO)(C[5]N[5]O)(O[4]C[4])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HO)(C[5]N[5]O)(O[4]C[4]){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	129.2610	0.000	1	129.2610	0.000	1	129.5490	0.166	2	129.5490	0.166	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:O[4]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]Cl)(C[5]N[5]O)(O[4]C[4])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]Cl)(C[5]N[5]O)(O[4]C[4]){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	129.8370	0.000	1	129.8370	0.000	1	129.5490	0.166	2	129.5490	0.166	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	127.8650	0.000	1	129.0885	2.994	2	130.5854	2.894	5	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.3120	0.000	1	129.0885	2.994	2	130.5854	2.894	5	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]CH)(C[5]N[5]O)(N[4]C[4]C)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]CH)(C[5]N[5]O)(N[4]C[4]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	130.7270	0.000	1	130.7270	0.000	1	130.5854	2.894	5	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]N[5]C)(N[4]C[4]C)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]N[5]C)(N[4]C[4]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	131.9300	0.000	1	131.9300	0.000	1	130.5854	2.894	5	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]C)(C[5]N[5]O)(N[4]C[4]C)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]C)(C[5]N[5]O)(N[4]C[4]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	132.0930	0.000	1	132.0930	0.000	1	130.5854	2.894	5	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]N[5]O)(N[4]C[4]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]N[5]O)(N[4]C[4]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	132.8660	0.000	1	132.8660	0.000	1	132.8660	0.000	1	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:N[4]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(N[4]C[6a]C[4])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(N[4]C[6a]C[4])(C[5]N[5]O){1|H<1>,1|O<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	132.5530	0.000	1	132.5530	0.000	1	131.9761	0.146	7	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:N[4]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[5]N[5]O){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	131.8800	0.313	6	131.8800	0.098	6	131.9761	0.146	7	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[4,5]-3:C[4]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a]){1|Cl<1>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	128.2855	0.964	2	128.2855	0.929	2	128.2855	0.929	2	131.0798	2.788	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:C[4]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,3|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[6a]C[6a]2)(C[4]C[4]HH){1|S<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.4040	0.000	1	130.4040	0.000	1	130.4040	0.000	1	130.4040	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]2F)(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]2F)(H){2|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	128.7520	0.000	1	128.7520	0.000	1	128.7520	0.000	1	129.9165	2.712	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]H)(C[4]C[3]C[4]H)(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]H)(C[4]C[3]C[4]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	131.0810	0.000	1	131.0810	0.000	1	131.0810	0.000	1	129.9165	2.712	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,4]-4:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,9|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.8035	0.725	2	130.7100	0.289	3	130.7100	0.289	3	129.7921	3.702	10	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,4]-4:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2){5|C<3>,9|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.5230	0.000	1	130.7100	0.289	3	130.7100	0.289	3	129.7921	3.702	10	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)2(C[6a]C[6a]2){2|O<1>,3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	128.3553	0.181	4	128.3553	0.033	4	128.1350	0.267	5	129.7921	3.702	10	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(C[4,5]C[4,5]S[5]H)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(C[4,5]C[4,5]S[5]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	127.2540	0.000	1	127.2540	0.000	1	128.1350	0.267	5	129.7921	3.702	10	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,6]-4:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.7990	0.000	1	132.5580	0.116	2	132.5580	0.116	2	129.7921	3.702	10	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,6]-4:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.3170	0.000	1	132.5580	0.116	2	132.5580	0.116	2	129.7921	3.702	10	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]C)(C[4]C[6a]O[4]C)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]C)(C[4]C[6a]O[4]C)(CC[6a]HH){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	129.4490	0.000	1	129.4490	0.000	1	129.4490	0.000	1	129.5615	0.025	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4]-4:C-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[4]C[4]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|C<3>,2|F<1>,2|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[4]C[4]HH)(CH3){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	129.6740	0.000	1	129.6740	0.000	1	129.6740	0.000	1	129.5615	0.025	2	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	130.2050	0.000	1	130.2050	0.000	1	130.3105	0.022	2	129.9226	0.233	8	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5,6]C[4,5,6]C[5,6a]O[6])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[4,5](C[4,5,6]C[4,5,6]C[5,6a]O[6])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	130.4160	0.000	1	130.4160	0.000	1	130.3105	0.022	2	129.9226	0.233	8	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[4,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[4,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	129.4190	0.000	1	129.4190	0.000	1	129.7933	0.242	6	129.9226	0.233	8	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	130.1690	0.000	1	130.1690	0.000	1	129.7933	0.242	6	129.9226	0.233	8	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	129.6480	0.000	1	129.7930	0.310	4	129.7933	0.242	6	129.9226	0.233	8	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	129.8413	0.671	3	129.7930	0.310	4	129.7933	0.242	6	129.9226	0.233	8	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]C)(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	131.2530	0.000	1	131.2530	0.000	1	131.2530	0.000	1	131.2530	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:N[4]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5,6]C[4,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[4]C[4,6]O)(CH3)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4,5](C[4,5,6]C[4,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[4]C[4,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	131.1400	0.000	1	131.1400	0.000	1	131.1400	0.000	1	131.1400	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,4,5]-4:C[5,6a]-3:C[4]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,4,5]C[4,4,5]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]CC)(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,3|C<4>}	C[4,5](C[4,4,5]C[4,4,5]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]CC)(H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	128.0910	0.990	2	128.0910	0.980	2	128.0910	0.980	2	128.8158	2.416	4	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[4]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5,6]C[4,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[4,5](C[4,5,6]C[4,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	130.9840	0.000	1	130.9840	0.000	1	130.9840	0.000	1	128.8158	2.416	4	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,6]-4:C[5,6a]-3:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[4,6]C[6,6a]C[4,6]F)(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,6]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[4,5](C[4,6]C[6,6a]C[4,6]F)(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,6]C[5]H)(H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	128.0970	0.000	1	128.0970	0.000	1	128.0970	0.000	1	128.8158	2.416	4	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	129.1725	0.622	15	129.1725	0.387	15	129.1725	0.387	15	129.1725	0.387	15	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,4,5]-4:C[4,5]-4:C[5,6a]-3:P[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,4,5]C[4,4,5]C[4,5]C[4])(C[4,5]C[4,4,5]C[5,6a]P[6])(C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4,5](C[4,4,5]C[4,4,5]C[4,5]C[4])(C[4,5]C[4,4,5]C[5,6a]P[6])(C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O){1|O<1>,2|O<2>,4|C<3>,4|H<1>,5|C<4>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	128.8590	0.000	1	128.8590	0.000	1	128.8590	0.000	1	128.8590	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	6:4:3:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H){1|Si<4>,4|C<3>,5|B<6>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	129.4640	0.000	1	129.4640	0.000	1	129.1912	1.285	5	129.1912	1.285	5	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	6:4:3:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|Si<4>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	129.7310	0.000	1	129.7310	0.000	1	129.1912	1.285	5	129.1912	1.285	5	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	6:4:3:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<6>,2|C<3>,3|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){3|C<3>,5|B<6>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	129.7790	0.362	2	128.9203	2.277	3	129.1912	1.285	5	129.1912	1.285	5	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	6:4:3:1:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|Si<4>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	127.2030	0.000	1	128.9203	2.277	3	129.1912	1.285	5	129.1912	1.285	5	129.6651	2.951	115	129.8572	3.671	132
727	478	643	0:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[6a]	4:3:3:	6:4:3:4:	3:3:1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Si<4>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,2|C<4>}	128.7160	0.000	1	128.7160	0.000	1	128.7160	0.000	1	128.7160	0.000	1	129.6651	2.951	115	129.8572	3.671	132
727	478	727	0:SP2_SP2_SP3	C[5,5,6a]	C[4,5,5]	C[5,5,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[5,5,6a]-3:C[5,5,6a]-3:C[4,5,5]-4:	C[5,5,6a]-3:C[4,5]-4:C[4,5]-4:H-1:	C[5,5,6a]-3:C[5,5,6a]-3:C[4,5,5]-4:	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H)	C[4,5,5](C[5,5,6a]C[5,5,6a]2)(C[4,5]C[4,5,5]HH)2(H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H){2|C<3>,3|C<4>,6|H<1>}	C[4,5,5](C[5,5,6a]C[5,5,6a]2)(C[4,5]C[4,5,5]HH)2(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H){2|C<3>,3|C<4>,6|H<1>}	137.6382	0.550	4	137.6382	0.302	4	137.6382	0.302	4	137.6382	0.302	4	137.6382	0.302	4	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5,5a]	C[4,5,5]	C[5a]	4:3:3:	4:4:3:3:	3:3:1:	C[4,5,5]-4:C[5,5a]-3:C[5a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[4,5,5]C[4,5,5]2C[5])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H)	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]C[5])2(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5a])	C[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a]N[5a]C)(H)	C[5,5a](C[4,5,5]C[4,5,5]2C[5])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|Ni<4>,1|C<4>,7|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]C[5])2(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5a]){10|C<3>,1|H<1>,3|N<3>}	C[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a]N[5a]C)(H){1|Ni<4>,2|C<3>,2|C<4>}	144.7705	1.643	2	144.7705	2.698	2	144.7705	2.698	2	144.7705	2.698	2	144.7705	2.698	2	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a]-3:C[4]-4:C[4]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H)	C[4](C[5a]C[5a,6a]C[5a])(C[4]C[6a]C[4]H)(C[4]C[4]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[4](C[5a]C[5a,6a]C[5a])(C[4]C[6a]C[4]H)(C[4]C[4]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br){2|C<3>,2|C<4>,4|H<1>}	129.3530	0.000	1	129.3530	0.000	1	129.3530	0.000	1	129.3530	0.000	1	126.4140	2.815	6	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H)	C[4](C[5a]C[5a,6a]C[5a])(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[4](C[5a]C[5a,6a]C[5a])(C[4]C[4]CH)(C[4]C[4]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	125.7415	0.384	2	125.7415	0.147	2	125.7415	0.147	2	125.7415	0.147	2	126.4140	2.815	6	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[4,5]-4:C[5a]-3:C[4]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H)	C[4](C[4,5]C[4]C[5]N[5])(C[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[4](C[4,5]C[4]C[5]N[5])(C[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(H){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	125.1430	0.508	2	125.1430	0.258	2	125.1430	0.258	2	125.8827	1.770	3	126.4140	2.815	6	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[4,6]-4:C[5a]-3:C[4]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C)	C[4](C[4,6]C[4,6]C[6]N[6])(C[5a]C[5a,6a]C[5a])(C[4]C[4,6]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[4](C[4,6]C[4,6]C[6]N[6])(C[5a]C[5a,6a]C[5a])(C[4]C[4,6]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	127.3620	0.000	1	127.3620	0.000	1	127.3620	0.000	1	125.8827	1.770	3	126.4140	2.815	6	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a]-3:C[4]-4:C[4]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H)	C[4](C[5a]C[5a,6a]C[5a])(C[4]C[6a]C[4]H)(C[4]C[4]C)(H)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[4](C[5a]C[5a,6a]C[5a])(C[4]C[6a]C[4]H)(C[4]C[4]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	124.3530	0.000	1	124.3530	0.000	1	124.3530	0.000	1	124.3530	0.000	1	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H)	C[4](C[5a]C[5a,6a]C[5a])(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[4](C[5a]C[5a,6a]C[5a])(C[4]C[4]CH)(C[4]C[4]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	127.1125	0.161	2	127.1125	0.026	2	127.1125	0.026	2	127.7697	1.308	3	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C[4]-4:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[4]C[4]2H)	C[4](C[5a]C[5a]N[5a])(C[4]C[4]CH)(C[4]C[4]HH)(H)	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[4]C[4]2H){1|C<3>,1|C<4>,5|H<1>}	C[4](C[5a]C[5a]N[5a])(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]H)(H){2|H<1>,3|C<4>}	129.0840	0.000	1	129.0840	0.000	1	129.0840	0.000	1	127.7697	1.308	3	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:3:4:	4:4:3:1:	3:2:1:	C[5a]-3:C[5a]-3:C[4]-4:	C[4]-4:C[4]-4:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:Br-1:	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(C[4]C[4]2H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[5a]C[5a]2)(H){1|Br<1>,1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(Br){1|Br<1>,2|C<4>,2|H<1>}	122.4450	1.708	2	122.4450	2.919	2	122.4450	2.919	2	122.4450	2.919	2	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:3:4:	4:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C[4]-4:	C[4]-4:C[4]-4:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]Br)(H)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)(C[4]C[4]2H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[5a]C[5a]2)(H){1|Br<1>,1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]Br)(H){1|Br<1>,1|H<1>,2|C<4>}	126.7545	1.039	2	126.7545	1.079	2	126.7545	1.079	2	126.7545	1.079	2	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:4:2:	3:4:3:1:	3:3:1:	C[5a]-3:C[4]-4:O[5a]-2:	C[5a]-3:C[4]-4:C[4]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a])	C[4](C[5a]C[5a]O[5a])(C[4]C[6a]N[4]H)(C[4]N[4]O)(H)	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[5a]C[5a]O[5a])(C[4]C[6a]N[4]H)(C[4]N[4]O)(H){1|H<1>,5|C<3>}	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	135.5405	0.606	2	135.5405	0.367	2	135.5405	0.367	2	135.5405	0.367	2	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:4:2:	3:4:4:1:	3:2:1:	C[5a]-3:C[4]-4:N[5a]-2:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a])	C[4](C[5a]C[5a]N[5a])(C[4]C[4]HH)2(H)	C[5a](C[5a]N[5a]C[4])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	C[4](C[5a]C[5a]N[5a])(C[4]C[4]HH)2(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]C[4])(S[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<4>}	126.6126	1.169	5	126.6126	1.366	5	126.6126	1.366	5	126.6126	1.366	5	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[4]-4:O[5a]-2:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a])	C[4](C[5a]C[5a]O[5a])(C[4]C[4]CH)2(H)	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[4](C[5a]C[5a]O[5a])(C[4]C[4]CH)2(H){2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	133.8780	0.592	4	133.8780	0.351	4	133.8780	0.351	4	133.8780	0.351	4	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:4:2:	3:4:4:1:	3:3:3:	C[5a]-3:C[4]-4:O[5a]-2:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[4]C[4]2H)(O[5a]C[5a])	C[4](C[5a]C[5a]O[5a])(C[4]C[4]CH)(C[4]C[4]HO)(H)	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[4]C[4]2H)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4](C[5a]C[5a]O[5a])(C[4]C[4]CH)(C[4]C[4]HO)(H){4|C<3>}	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(COO){1|H<1>,3|C<4>}	137.6490	0.000	1	137.6490	0.000	1	137.6490	0.000	1	137.6490	0.000	1	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:4:3:	4:3:4:1:	3:3:1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[4,5]-4:C[5a]-3:C[4]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H)	C[4](C[4,5]C[4]C[5]N[5])(C[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(H)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[4](C[4,5]C[4]C[5]N[5])(C[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(H){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	127.2275	0.706	2	127.2275	0.499	2	127.2275	0.499	2	127.2275	0.499	2	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	3:4:3:	4:3:4:1:	3:3:4:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[4,6]-4:C[5a]-3:C[4]-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C)	C[4](C[4,6]C[4,6]C[6]N[6])(C[5a]C[5a,6a]C[5a])(C[4]C[4,6]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[4](C[4,6]C[4,6]C[6]N[6])(C[5a]C[5a,6a]C[5a])(C[4]C[4,6]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|N<3>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]H)(CC3){1|H<1>,2|C<3>,2|C<4>}	125.7870	0.000	1	125.7870	0.000	1	125.7870	0.000	1	125.7870	0.000	1	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	4:3:2:	3:3:4:1:	3:3:1:	C[4]-4:C[5a]-3:O[5a]-2:	C[5a]-3:N[4]-3:C[4]-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[4]C[4]N[4]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[4](C[5a]C[5a]O[5a])(N[4]C[6a]C[4])(C[4]C[4]HO)(H)	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(H)	C[5a](C[4]C[4]N[4]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[4](C[5a]C[5a]O[5a])(N[4]C[6a]C[4])(C[4]C[4]HO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|H<1>}	132.4280	0.000	1	132.4280	0.000	1	132.4280	0.000	1	132.4280	0.000	1	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	4:3:2:	3:4:2:4:	3:3:1:	C[4]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[4]-4:O[4]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[4]C[4]O[4]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[4](C[5a]C[5a]S[5a])(C[4]C[4]CH)(O[4]C[4])(CF3)	C[5a](C[5a]S[5a]C[4])(C[5a]C[5a]H)(H)	C[5a](C[4]C[4]O[4]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[4](C[5a]C[5a]S[5a])(C[4]C[4]CH)(O[4]C[4])(CF3){1|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[4])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	126.9610	0.000	1	126.9610	0.000	1	126.9610	0.000	1	126.9610	0.000	1	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	4:3:2:	4:4:3:1:	3:3:1:	C[4]-4:C[5a]-3:O[5a]-2:	C[4,6]-4:C[4]-4:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[4]C[4,6]C[4]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[5a]H)(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(H)	C[5a](C[4]C[4,6]C[4]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C[5a]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]O[5a]C[4])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	134.3515	2.246	2	134.3515	5.047	2	134.3515	5.047	2	134.3515	5.047	2	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	4:3:3:	3:4:3:2:	3:2:1:	C[4]-4:C[5a]-3:C[5a]-3:	C[4,6]-3:C[4]-4:C[5a]-3:O-2:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[4]C[4,6]C[4]O)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[5a]C[5a]2)(OC)	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(H)	C[5a](C[4]C[4,6]C[4]O)(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[5a]C[5a]2)(OC){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C[4])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	128.9601	20.231	29	130.2054	34.016	41
727	478	727	0:SP2_SP2_SP3	C[5a]	C[4]	C[5a]	4:3:3:	3:4:3:2:	3:3:1:	C[4]-4:C[5a]-3:C[5a]-3:	C[4,6]-3:C[4]-4:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[4]C[4,6]C[4]O)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[5a]C[5a]2)(OC)	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]H)(H)	C[5a](C[4]C[4,6]C[4]O)(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[5a]C[5a]2)(OC){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C[4])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.2780	0.000	1	125.2780	0.000	1	125.2780	0.000	1	125.2780	0.000	1	128.9601	20.231	29	130.2054	34.016	41
727	478	727	5:SP2_SP2_SP3	C[5,5,6a]	C[4,5,5]	C[5,5,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[5,5,6a]-3:C[5,5,6a]-3:C[4,5,5]-4:	C[5,5,6a]-3:C[4,5]-4:C[4,5]-4:H-1:	C[5,5,6a]-3:C[6a,6a]-3:C[4,5,5]-4:	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H)	C[4,5,5](C[5,5,6a]C[5,5,6a]2)(C[4,5]C[4,5,5]HH)2(H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[6a,6a]C[6a])(C[4,5,5]C[4,5]2H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H){2|C<3>,3|C<4>,6|H<1>}	C[4,5,5](C[5,5,6a]C[5,5,6a]2)(C[4,5]C[4,5,5]HH)2(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[6a,6a]C[6a])(C[4,5,5]C[4,5]2H){1|C<4>,3|C<3>,6|H<1>}	103.1393	0.250	4	103.1393	0.062	4	103.1393	0.062	4	102.8727	0.149	7	102.8727	0.149	7	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,5,6a]	C[4,5,5]	C[5,5,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[5,5,6a]-3:C[6a,6a]-3:C[4,5,5]-4:	C[5,5,6a]-3:C[4,5]-4:C[4,5]-4:H-1:	C[5,5,6a]-3:C[5,5,6a]-3:C[4,5,5]-4:	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[6a,6a]C[6a])(C[4,5,5]C[4,5]2H)	C[4,5,5](C[5,5,6a]C[5,5,6a]C[6a,6a])(C[4,5]C[4,5,5]HH)2(H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H)	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[6a,6a]C[6a,6a]C[6a])(C[4,5,5]C[4,5]2H){1|C<4>,3|C<3>,6|H<1>}	C[4,5,5](C[5,5,6a]C[5,5,6a]C[6a,6a])(C[4,5]C[4,5,5]HH)2(H){1|H<1>,3|C<3>}	C[5,5,6a](C[5,5,6a]C[5,5,6a]C[4,5,5])(C[5,5,6a]C[4,5,5]C[6a,6a])(C[4,5,5]C[4,5]2H){2|C<3>,3|C<4>,6|H<1>}	102.5173	0.148	3	102.5173	0.022	3	102.5173	0.022	3	102.8727	0.149	7	102.8727	0.149	7	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,5a]	C[4,5,5]	C[5,5a]	4:3:2:	4:4:3:2:	3:3:4:	C[4,5,5]-4:C[5,5a]-3:O[5a]-2:	C[4,5,5]-4:C[4,5,5]-4:C[5,5a]-3:O[5]-2:	C[5a,6a]-3:C[5,5a]-3:Ge[5]-4:	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Ge[5])(O[5a]C[5a,6a])	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Ge[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Ge[5]C[4,5,5]C[6a]2)	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Ge[5])(O[5a]C[5a,6a]){1|Ge<4>,1|C<4>,7|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Ge[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a]){12|C<3>,1|O<2>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Ge[5]C[4,5,5]C[6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	123.4390	0.000	1	123.4390	0.000	1	123.4390	0.000	1	122.8980	0.585	2	116.0482	62.755	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,5a]	C[4,5,5]	C[5,5a]	4:3:2:	4:4:3:2:	3:3:4:	C[4,5,5]-4:C[5,5a]-3:O[5a]-2:	C[4,5,5]-4:C[4,5,5]-4:C[5,5a]-3:O[5]-2:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Si[5])(O[5a]C[5a,6a])	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Si[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Si[5]C[4,5,5]C[6a]2)	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Si[5])(O[5a]C[5a,6a]){1|Si<4>,1|C<4>,7|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Si[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a]){12|C<3>,1|O<2>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[4,5,5]O[5a])(Si[5]C[4,5,5]C[6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	122.8980	0.585	2	116.0482	62.755	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,5a]	C[4,5,5]	C[5,5a]	4:3:3:	4:4:3:3:	3:3:3:	C[4,5,5]-4:C[5,5a]-3:C[5a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[5,5a](C[4,5,5]C[4,5,5]2C[5])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H)	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]C[5])2(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5a])	C[5,5a](C[5,5a]C[4,5,5]C[5a])(C[5]C[4,5,5]C[5a])(N[5a]C[5a]Ni)	C[5,5a](C[4,5,5]C[4,5,5]2C[5])(C[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|Ni<4>,1|C<4>,7|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]C[5])2(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5a]){10|C<3>,1|H<1>,3|N<3>}	C[5,5a](C[5,5a]C[4,5,5]C[5a])(C[5]C[4,5,5]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	109.1985	0.046	2	109.1985	0.002	2	109.1985	0.002	2	109.1985	0.002	2	116.0482	62.755	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6,6a]	C[4,5,6,6]	C[5,6,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[4,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[4,5,6,6]C[4,5,6,6]2C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)2	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6,6a]2)2(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[4,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[4,5,6,6]C[4,5,6,6]2C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)2{3|C<4>,8|C<3>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6,6a]2)2(C[5,6,6a]C[5,6,6a]2)2{14|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[4,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	110.4728	0.352	4	110.4728	0.124	4	110.4728	0.124	4	110.4728	0.124	4	110.4728	0.124	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,5,6]	C[5,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[4,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5,5]-4:C[4,6]-4:O[5,6]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5,5,6](C[5,6a]C[5,6a]C[6a])(C[4,5,5]C[4]C[5]2)(C[4,6]C[4]C[6]H)(O[5,6]C[5,6])	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H)	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[4,5,5,6](C[5,6a]C[5,6a]C[6a])(C[4,5,5]C[4]C[5]2)(C[4,6]C[4]C[6]H)(O[5,6]C[5,6]){1|O<1>,3|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[5,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[4,5,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,3|C<4>,3|H<1>}	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4852	1.047	6	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[5,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:C[4]-4:C[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5,5]C[4]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]C[5]HH){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	111.1865	0.086	2	110.4852	1.047	6	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[5,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5]C[6a]C[4]N[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[4,5,5](C[4,5]C[6a]C[4]N[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5]C[5]HH){5|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){2|C<3>,2|H<1>,3|C<4>}	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	111.1865	0.086	2	110.4852	1.047	6	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[5,6a]	4:3:3:	4:4:3:4:	3:2:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,6a]-3:Ge[5]-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]O[5])2(C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,5a]C[6a]2)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]O[5])2(C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,5a]C[6a]2){10|C<3>,1|Ge<4>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|C<4>,2|H<1>}	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.2835	0.097	2	110.4852	1.047	6	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[5,6a]	4:3:3:	4:4:3:4:	3:2:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,6a]-3:Si[5]-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]O[5])2(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,5a]C[6a]2)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,5a]O[5])2(C[5,6a]C[5,6a]C[6a])(Si[5]C[5,5a]C[6a]2){10|C<3>,1|Si<4>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.2835	0.097	2	110.4852	1.047	6	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,5]	C[5,6a]	4:3:3:	4:4:3:4:	3:4:3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]C[5])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,4|C<3>,6|H<1>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]C[5])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	110.4852	1.047	6	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[5,6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CC)	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,6|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]CC){4|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	109.1050	0.000	1	109.1050	0.000	1	108.2060	1.616	2	108.2060	1.616	2	108.2060	1.616	2	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[5,6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,3|H<1>,6|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a]C[4,5,6]C[6a])2(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	107.3070	0.000	1	107.3070	0.000	1	108.2060	1.616	2	108.2060	1.616	2	108.2060	1.616	2	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[5,6a]	4:3:3:	3:3:4:3:	3:4:3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[4,6a]-3:C[5,6a]-3:C[4,6]-4:N[5,6]-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[6]S[5])	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[6]S[5]){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.4790	0.000	1	114.4790	0.000	1	114.4790	0.000	1	114.4790	0.000	1	109.6047	11.610	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:2:3:	C[4,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[4]-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[4,5,6](C[4,5,6]C[6,6a]C[4]O[5])(C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[4,5,6]C[6,6a]C[4]O[5])(C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	106.5330	0.000	1	109.6047	11.610	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6,6]-4:C[5,6a]-3:C[4]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[4,5,6](C[4,5,6,6]C[4,6]N[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6,6]C[4,6]N[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	109.6047	11.610	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5,6]	C[5,6a]	4:3:3:	4:4:3:2:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[4,5,6]-4:C[5,6a]-3:O[6]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5,6](C[4,5]C[5,6a]C[5]O[4])(C[4,5,6]N[5]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[3,6])	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[4,5,6](C[4,5]C[5,6a]C[5]O[4])(C[4,5,6]N[5]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[3,6]){1|H<1>,1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	109.6047	11.610	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:N[4,5a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a,6a]C[6a])(C[4,5]C[5,6a]N[4,5a]H)(N[4,5a]N[4,5a]C[5a])(H)	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a,6a]C[6a])(C[4,5]C[5,6a]N[4,5a]H)(N[4,5a]N[4,5a]C[5a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,6|H<1>}	107.7670	0.078	2	107.7670	0.006	2	107.7670	0.006	2	107.7670	0.006	2	108.2935	0.379	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a,6a]C[6a])(C[4,5]C[5,6a]C[4,5]H)2(H)	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a,6a]C[6a])(C[4,5]C[5,6a]C[4,5]H)2(H){2|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[4,5]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,6|H<1>}	108.8200	0.153	2	108.8200	0.023	2	108.8200	0.023	2	108.8200	0.023	2	108.2935	0.379	4	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:C[4]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]C)(C[4]C[4]P)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){1|C<2>,1|P<4>,2|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]C)(C[4]C[4]P){1|Cl<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	109.6555	0.050	2	109.6555	0.003	2	109.6555	0.003	2	109.6555	0.003	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4]-4:C[4]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4]C[6a]C[4]H)(C[4]C[4]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4]C[6a]C[4]H)(C[4]C[4]C){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	110.0640	0.034	2	110.0640	0.001	2	110.0640	0.001	2	110.0640	0.001	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	111.7670	0.000	1	111.9065	0.039	2	111.9065	0.039	2	111.7070	0.139	3	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	112.0460	0.000	1	111.9065	0.039	2	111.9065	0.039	2	111.7070	0.139	3	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]Cl){4|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)2(Cl){2|Cl<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]Cl)(C[5]C[4,5]O){4|Cl<1>,1|C<3>,2|C<4>}	111.3080	0.000	1	111.3080	0.000	1	111.3080	0.000	1	111.7070	0.139	3	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]S[5]C)2(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,2|O<1>,3|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]S[5]C)2(H){2|H<1>,4|C<3>,4|O<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	115.2803	0.257	6	115.2803	0.066	6	115.2803	0.066	6	115.2803	0.066	6	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[4]-4:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(C[4]C[4]HH)(C[5]C[5]N)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(C[4]C[4]HH)(C[5]C[5]N){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:2:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[4,5](C[4,5]C[4,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[4,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]H)(OC)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]H)(OC){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	109.4300	0.271	3	109.4300	0.073	3	109.7435	0.442	4	109.7435	0.442	4	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]O)(OC[5])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]O)(OC[5]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	110.6840	0.000	1	110.6840	0.000	1	109.7435	0.442	4	109.7435	0.442	4	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:2:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[4,5]-4:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[6a]O[4]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[6a]O[4]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4,5]-3:C[4]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a]){1|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.0150	0.301	2	110.0150	0.091	2	110.0150	0.091	2	110.0150	0.091	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4,5]-3:C[4]-3:C-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[4]C[4]C)(COO)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[4]C[4]C)(COO){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.0795	0.664	2	114.0795	0.441	2	114.0795	0.441	2	114.0795	0.441	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:3:4:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4,5]-3:C[6a]-3:C[4]-4:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[6a]C[6a]2)(C[4]C[4]HH)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	C[5,6a](C[4,5]N[4,5]C[6a]C[4])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]S[5])(C[6a]C[6a]2)(C[4]C[4]HH){2|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.8920	0.000	1	114.8920	0.000	1	114.8920	0.000	1	114.8920	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-3:C[4]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5])(C[4]C[4]CC)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5])(C[4]C[4]CC)(H){1|P<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,6a]-3:C[5,6a]-3:C[4]-4:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6a]CC)(O[5]C[5])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6a]CC)(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:4:3:	3:3:2:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4]-3:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4]C[6a]C[4])(C[4]C[4]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4]C[6a]C[4])(C[4]C[4]CC)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4,5]-4:C[4]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[5,6a]2C[4])(C[4]C[4]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[5,6a]2C[4])(C[4]C[4]C[5]){11|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	109.6008	0.362	4	109.6008	0.131	4	109.6008	0.131	4	109.2362	0.763	5	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[4]-3:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4]C[6a]C[4])(C[4]C[4]HO)(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(N[4]C[6a]C[4])(C[4]C[4]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	109.2362	0.763	5	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[4,5]-4:Ge[4]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[5]O[4]O[5])(Ge[4]C[6a]2O[4])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[5]O[4]O[5])(Ge[4]C[6a]2O[4]){10|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	109.7500	0.451	2	109.7500	0.204	2	109.7500	0.204	2	109.7500	0.204	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,4]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	109.5746	0.219	7	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2H)(O[4]C[4,5])(C[5]N[5]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.0700	0.000	1	110.0700	0.000	1	109.4995	0.215	6	109.5746	0.219	7	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(C[5]N[5]O){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.3960	0.000	1	109.3960	0.000	1	109.4995	0.215	6	109.5746	0.219	7	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.1625	0.093	2	109.4733	0.294	3	109.4995	0.215	6	109.5746	0.219	7	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]N[5]H)(O[4]C[4,5])(C[5]N[5]O){1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.0950	0.000	1	109.4733	0.294	3	109.4995	0.215	6	109.5746	0.219	7	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[5]H)(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[5]H)(O[4]C[4,5])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.1110	0.000	1	109.1110	0.000	1	109.4995	0.215	6	109.5746	0.219	7	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]C)(C[4]C[6a]C[4])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]C)(C[4]C[6a]C[4])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:O[4]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HO)(C[5]N[5]O)(O[4]C[4])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HO)(C[5]N[5]O)(O[4]C[4]){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.2370	0.000	1	109.2370	0.000	1	109.3660	0.033	2	109.3660	0.033	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:O[4]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]Cl)(C[5]N[5]O)(O[4]C[4])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]Cl)(C[5]N[5]O)(O[4]C[4]){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.4950	0.000	1	109.4950	0.000	1	109.3660	0.033	2	109.3660	0.033	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:2:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]N[5]O)(N[4]C[4]C)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]N[5]O)(N[4]C[4]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:2:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:N[4]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(N[4]C[6a]C[4])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(N[4]C[6a]C[4])(C[5]N[5]O){1|H<1>,1|O<1>,8|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	108.9320	0.000	1	108.9320	0.000	1	108.9320	0.000	1	108.4048	1.102	12	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]CH)(C[5]N[5]O)(N[4]C[4]C)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]CH)(C[5]N[5]O)(N[4]C[4]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.2820	0.000	1	108.2820	0.000	1	108.0703	0.329	3	108.4048	1.102	12	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]N[5]C)(N[4]C[4]C)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]N[5]C)(N[4]C[4]C){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.5080	0.000	1	108.5080	0.000	1	108.0703	0.329	3	108.4048	1.102	12	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]C)(C[5]N[5]O)(N[4]C[4]C)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]C)(C[5]N[5]O)(N[4]C[4]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.4210	0.000	1	107.4210	0.000	1	108.0703	0.329	3	108.4048	1.102	12	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:N[4]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(C[5]N[5]O){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.8768	0.253	6	107.8768	0.064	6	107.8768	0.064	6	108.4048	1.102	12	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[4,5]-3:C[4]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a]){1|Cl<1>,2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	110.2270	1.488	2	110.2270	2.213	2	110.2270	2.213	2	108.4048	1.102	12	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C){1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:C[4]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[6a]C[6a]2)(C[4]C[4]HH)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S)	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,3|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[6a]C[6a]2)(C[4]C[4]HH){1|S<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]H)(C[4]C[3]C[4]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]H)(C[4]C[3]C[4]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<4>,2|C<3>,4|H<1>}	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]2F)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]2F)(H){2|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:2:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(C[4,5]C[4,5]S[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(S[5]C[4,5])	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]Cl)(C[4,5]C[4,5]S[5]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(S[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,4]-4:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,9|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<3>,2|H<1>,3|C<4>}	108.9360	0.328	2	108.9063	0.056	3	108.9063	0.056	3	110.0771	2.912	9	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,4]-4:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[3,4]C[3]2C[4])(C[4,5]C[4]N[5]C)(C[6a]C[6a]2){5|C<3>,9|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<4>,2|H<1>,3|C<3>}	108.8470	0.000	1	108.9063	0.056	3	108.9063	0.056	3	110.0771	2.912	9	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)2(C[6a]C[6a]2){2|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	111.8483	0.200	4	111.8483	0.040	4	111.8483	0.040	4	110.0771	2.912	9	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,6]-4:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4010	0.000	1	108.2910	0.024	2	108.2910	0.024	2	110.0771	2.912	9	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,6]-4:C[4]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.1810	0.000	1	108.2910	0.024	2	108.2910	0.024	2	110.0771	2.912	9	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[4]C[4]HH)(CH3)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|C<3>,2|F<1>,2|H<1>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]N[5]F)(C[4]C[4]HH)(CH3){1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	109.2340	0.000	1	109.2340	0.000	1	109.9565	1.044	2	109.9565	1.044	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[4,5]-4:C[4]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]C)(C[4]C[6a]O[4]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]C)(C[4]C[6a]O[4]C)(CC[6a]HH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.6790	0.000	1	110.6790	0.000	1	109.9565	1.044	2	109.9565	1.044	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.9650	0.000	1	109.9650	0.000	1	109.3440	0.771	2	109.4218	0.246	8	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5,6]C[4,5,6]C[5,6a]O[6])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[4,5](C[4,5,6]C[4,5,6]C[5,6a]O[6])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.7230	0.000	1	108.7230	0.000	1	109.3440	0.771	2	109.4218	0.246	8	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[4,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[4,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.6070	0.000	1	109.6070	0.000	1	109.4477	0.186	6	109.4218	0.246	8	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.7100	0.000	1	109.7100	0.000	1	109.4477	0.186	6	109.4218	0.246	8	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.4860	0.000	1	109.3423	0.264	4	109.4477	0.186	6	109.4218	0.246	8	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:2:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:O[4]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(C[5,6a]C[5,6a]C[6a])(O[4]C[4,5])(C[5]N[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.2943	0.619	3	109.3423	0.264	4	109.4477	0.186	6	109.4218	0.246	8	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:3:2:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]C)(O[5]C[5])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]C)(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:N[4]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5,6]C[4,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[4]C[4,6]O)(CH3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4,5](C[4,5,6]C[4,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[4]C[4,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[4]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,5,6]C[4,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[4,5](C[4,5,6]C[4,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,6]-4:C[5,6a]-3:C[4,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[4,6]C[6,6a]C[4,6]F)(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,6]C[5]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[4,5](C[4,6]C[6,6a]C[4,6]F)(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,6]C[5]H)(H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,4,5]-4:C[5,6a]-3:C[4]-4:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,4,5]C[4,4,5]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]CC)(H)	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,3|C<4>}	C[4,5](C[4,4,5]C[4,4,5]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]CC)(H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	112.0755	0.141	2	112.0755	0.020	2	112.0755	0.020	2	112.0755	0.020	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	111.6507	0.383	15	111.6507	0.147	15	111.6507	0.147	15	111.6507	0.147	15	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	4:4:3:4:	4:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,4,5]-4:C[4,5]-4:C[5,6a]-3:P[6]-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[4,5](C[4,4,5]C[4,4,5]C[4,5]C[4])(C[4,5]C[4,4,5]C[5,6a]P[6])(C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O)	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4,5](C[4,4,5]C[4,4,5]C[4,5]C[4])(C[4,5]C[4,4,5]C[5,6a]P[6])(C[5,6a]C[5,6a]C[6a])(P[6]O[6]2O){1|O<1>,2|O<2>,4|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,3|C<4>}	110.2995	0.515	2	110.2995	0.266	2	110.2995	0.266	2	110.2995	0.266	2	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H){1|Si<4>,4|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){2|C<3>,2|C<6>,3|H<1>}	108.9830	0.000	1	108.9830	0.000	1	109.4686	0.269	5	109.4686	0.269	5	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<6>,2|C<3>,3|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){3|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H){2|C<6>,3|C<3>,4|H<1>}	109.8315	0.004	2	109.8315	0.000	2	109.4686	0.269	5	109.4686	0.269	5	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|Si<4>,2|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C){1|C<3>,2|C<6>,4|H<1>}	109.8710	0.000	1	109.8710	0.000	1	109.4686	0.269	5	109.4686	0.269	5	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	6:4:3:1:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|Si<4>,2|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,2|C<6>,4|H<1>}	108.8260	0.000	1	108.8260	0.000	1	109.4686	0.269	5	109.4686	0.269	5	110.2997	3.837	112	110.0058	8.330	144
727	478	727	5:SP2_SP2_SP3	C[5,6a]	C[4,5]	C[5,6a]	4:3:3:	6:4:3:4:	3:3:3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5x3,4,5x5,20x6]-6:C[4,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[4,5](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,5]C[5x3,4,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Si<4>,2|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<6>,3|H<1>}	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.2997	3.837	112	110.0058	8.330	144
727	478	727	6:SP2_SP2_SP3	C[5,6,6a]	C[4,5,6,6]	C[5,6,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[4,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[4,5,6,6]C[4,5,6,6]2C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)2	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6,6a]2)2(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[4,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[4,5,6,6]C[4,5,6,6]2C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)2{3|C<4>,8|C<3>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6,6a]2)2(C[5,6,6a]C[5,6,6a]2)2{14|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[4,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	122.5440	0.333	4	122.5440	0.111	4	122.5440	0.111	4	122.5440	0.111	4	122.5440	0.111	4	123.9151	2.634	8
727	478	727	6:SP2_SP2_SP3	C[5a,6]	C[4,6]	C[5a,6]	3:4:3:	3:4:4:3:	3:3:4:	C[5a,6]-3:C[4,6]-4:N[5a]-3:	C[5a,6]-3:C[4]-4:C[4]-4:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H)	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]N[4]CH)(C[4]N[4]HH)(N[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]N[4]CH)(C[4]N[4]HH)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	123.9160	0.000	1	123.9160	0.000	1	125.2862	1.023	4	125.2862	1.023	4	125.2862	1.023	4	123.9151	2.634	8
727	478	727	6:SP2_SP2_SP3	C[5a,6]	C[4,6]	C[5a,6]	3:4:3:	3:4:4:3:	3:3:4:	C[5a,6]-3:C[4,6]-4:N[5a]-3:	C[5a,6]-3:C[4]-4:C[4]-4:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H)	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]O[4]CH)(C[4]O[4]HH)(N[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]O[4]CH)(C[4]O[4]HH)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	125.7430	0.531	3	125.7430	0.282	3	125.2862	1.023	4	125.2862	1.023	4	125.2862	1.023	4	123.9151	2.634	8
727	478	813	0:SP2_SP2_SP3	C[5a,6]	C[4,6]	N[5a]	3:4:3:	3:4:4:3:	3:3:1:	C[5a,6]-3:C[4,6]-4:N[5a]-3:	C[5a,6]-3:C[4]-4:C[4]-4:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H)	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]N[4]CH)(C[4]N[4]HH)(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]N[4]CH)(C[4]N[4]HH)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	125.7840	0.000	1	125.7840	0.000	1	124.5440	0.835	4	124.5440	0.835	4	124.5440	0.835	4	123.6432	1.584	8
727	478	813	0:SP2_SP2_SP3	C[5a,6]	C[4,6]	N[5a]	3:4:3:	3:4:4:3:	3:3:1:	C[5a,6]-3:C[4,6]-4:N[5a]-3:	C[5a,6]-3:C[4]-4:C[4]-4:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H)	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]O[4]CH)(C[4]O[4]HH)(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[4,6](C[5a,6]C[5a,6]N[5a])(C[4]O[4]CH)(C[4]O[4]HH)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	124.1307	0.477	3	124.1307	0.227	3	124.5440	0.835	4	124.5440	0.835	4	124.5440	0.835	4	123.6432	1.584	8
727	478	813	0:SP2_SP2_SP3	C[5a]	C[4]	N[5a]	3:2:4:	4:4:3:1:	3:3:1:	N[5a]-3:N[5a]-2:C[4]-4:	C[4]-4:C[4]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[4]C[4]2H)	C[4](C[4]C[6a]C[4]H)2(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	C[4](C[4]C[6a]C[4]H)2(C[5a]N[5a]2)(H){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H){2|C<3>,2|C<4>,2|H<1>}	122.5197	0.866	3	122.5197	0.749	3	122.5197	0.749	3	122.5197	0.749	3	122.7425	0.698	4	123.6432	1.584	8
727	478	813	0:SP2_SP2_SP3	C[5a]	C[4]	N[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C[4]-4:	C[5a]-3:C[4]-4:C[4]-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[4]C[4]2H)	C[4](C[5a]C[5a]N[5a])(C[4]C[4]CH)(C[4]C[4]HH)(H)	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[4]C[4]2H){1|C<3>,1|C<4>,5|H<1>}	C[4](C[5a]C[5a]N[5a])(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH){2|C<4>,3|H<1>}	123.4110	0.000	1	123.4110	0.000	1	123.4110	0.000	1	123.4110	0.000	1	122.7425	0.698	4	123.6432	1.584	8
727	486	519	0:SP2_SP2_SP3	C[5a,6]	C[3,6]	N[5a]	3:4:2:	3:4:4:1:	3:3:	N[5a,6]-3:C[3,6]-4:N[5a]-2:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){6|C<3>}	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	126.2040	0.000	1	126.2040	0.000	1	126.2040	0.000	1	126.2040	0.000	1	127.9780	2.362	3	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a,6]	C[3,6]	N[5a]	4:3:2:	3:4:4:1:	3:3:	C[3,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[5a]-3:	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H)	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<4>}	128.8650	0.059	2	128.8650	0.004	2	128.8650	0.004	2	128.8650	0.004	2	127.9780	2.362	3	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,3|H<1>}	123.9370	0.000	1	123.9370	0.000	1	123.9370	0.000	1	123.9370	0.000	1	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]C[5a]C[3])(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]C[3])(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	121.3310	0.000	1	121.3310	0.000	1	121.3310	0.000	1	124.4306	3.651	11	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]N)(C[3]C[3]2H)(N[5a]O[5a])	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]C[5a]C[3])(O[5a]N[5a])	C[5a](C[5a]N[5a]N)(C[3]C[3]2H)(N[5a]O[5a]){4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]C[3])(O[5a]N[5a]){1|H<1>,1|N<2>,2|C<4>}	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	124.4306	3.651	11	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:2:	N[5a,5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,5a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]N[5a,5a]C[3])(N[5a]C[5a,5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|S<2>,2|C<3>,4|H<1>}	C[3](C[5a]N[5a,5a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,5a]C[3])(N[5a]C[5a,5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	127.5020	0.628	2	127.5020	0.394	2	127.5020	0.394	2	124.4306	3.651	11	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:2:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|C<2>,2|C<3>,4|H<1>}	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a]){1|H<1>,2|C<3>,2|C<4>}	123.6740	0.000	1	123.8750	0.081	2	124.4958	0.282	6	124.4306	3.651	11	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:2:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a]){1|H<1>,2|C<3>,2|C<4>}	124.0760	0.000	1	123.8750	0.081	2	124.4958	0.282	6	124.4306	3.651	11	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:2:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,6a]C[3])(N[5a]C[5a,6a]){1|H<1>,2|C<3>,2|C<4>}	124.8063	0.239	4	124.8063	0.057	4	124.4958	0.282	6	124.4306	3.651	11	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:2:	N[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	N[5a](C[5a]N[5a]C[3])(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]C[3])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	123.1060	0.000	1	123.1060	0.000	1	123.1060	0.000	1	124.4306	3.651	11	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	4:2:2:	3:4:4:1:	3:2:	C[3]-4:N[5a]-2:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|O<2>}	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	122.5345	0.607	6	122.5345	0.369	6	122.5345	0.369	6	124.4368	12.770	8	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	4:2:2:	3:4:4:1:	3:2:	C[3]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a])	C[3](C[5a]N[5a]O[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]O[5a]C[3])(N[5a]C[5a])	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,4|H<1>}	C[3](C[5a]N[5a]O[5a])(C[3]C[3]HH)2(H){1|C<3>,1|N<2>}	N[5a](C[5a]O[5a]C[3])(N[5a]C[5a]){1|H<1>,3|C<4>}	130.1435	0.838	2	130.1435	0.702	2	130.1435	0.702	2	124.4368	12.770	8	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	4:2:2:	3:4:4:1:	3:3:	C[3]-4:N[5a]-2:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C[3])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	122.6330	1.096	2	122.6330	1.201	2	122.8232	0.323	6	123.3837	2.468	7	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	4:2:2:	3:4:4:1:	3:3:	C[3]-4:N[5a]-2:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3]){1|H<1>,2|C<3>,2|C<4>}	122.9183	0.318	4	122.9183	0.101	4	122.8232	0.323	6	123.3837	2.468	7	124.1427	5.630	27	124.5263	6.580	30
727	486	519	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	4:2:2:	3:4:4:1:	3:3:	C[3]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a])	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	126.7470	0.000	1	126.7470	0.000	1	126.7470	0.000	1	123.3837	2.468	7	124.1427	5.630	27	124.5263	6.580	30
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:O[5a]-2:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3]){2|C<3>,2|C<4>,3|H<1>}	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	115.5874	10.945	11	115.5874	10.945	11
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[3]-4:O[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a]){1|C<3>,1|S<2>,4|H<1>}	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]S){1|C<3>,1|H<1>,3|C<4>}	116.9540	0.000	1	116.9540	0.000	1	116.3375	0.760	2	116.3375	0.760	2	115.5874	10.945	11	115.5874	10.945	11
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[3]-4:O[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H){1|H<1>,4|C<3>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H){2|C<4>,3|H<1>}	115.7210	0.000	1	115.7210	0.000	1	116.3375	0.760	2	116.3375	0.760	2	115.5874	10.945	11	115.5874	10.945	11
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	4:2:2:	3:4:4:1:	3:3:	C[3]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a])	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H)	O[5a](C[5a]N[5a]C[3])(C[5a]C[5a]O)	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[3](C[5a]N[5a]O[5a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(H){4|C<3>}	O[5a](C[5a]N[5a]C[3])(C[5a]C[5a]O){1|C<3>,1|H<1>,2|C<4>}	120.3180	0.000	1	120.3180	0.000	1	118.9993	1.995	3	118.9993	1.995	3	115.5874	10.945	11	115.5874	10.945	11
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	4:2:2:	3:4:4:1:	3:3:	C[3]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a])	C[3](C[5a]N[5a]O[5a])(C[3]C[3]HH)2(H)	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C)	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,4|H<1>}	C[3](C[5a]N[5a]O[5a])(C[3]C[3]HH)2(H){1|C<3>,1|N<2>}	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C){1|H<1>,2|C<4>}	118.3400	1.175	2	118.3400	1.381	2	118.9993	1.995	3	118.9993	1.995	3	115.5874	10.945	11	115.5874	10.945	11
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	4:3:2:	3:4:2:1:	3:3:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C)	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>}	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.1780	0.567	2	111.1780	0.322	2	110.9837	0.274	3	110.9837	0.274	3	115.5874	10.945	11	115.5874	10.945	11
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	4:3:2:	3:4:2:1:	3:3:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C[4])	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>}	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C[4]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.5950	0.000	1	110.5950	0.000	1	110.9837	0.274	3	110.9837	0.274	3	115.5874	10.945	11	115.5874	10.945	11
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	4:3:2:	3:4:3:1:	3:3:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:P[3]-4:N[3]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H)	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|W<6>,2|C<4>,2|H<1>}	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H){1|H<1>,2|C<3>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H){1|N<3>,1|P<4>,3|H<1>}	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	115.5874	10.945	11	115.5874	10.945	11
727	486	537	0:SP2_SP2_SP3	C[5a]	C[3]	O[5a]	4:3:2:	3:4:3:3:	3:3:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[5a]-3:C[5a]-3:	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C)	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.6080	0.000	1	117.6080	0.000	1	117.6080	0.000	1	117.6080	0.000	1	115.5874	10.945	11	115.5874	10.945	11
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5,5,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	C[6a](C[5,6a]C[3,5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[3,5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	131.9550	0.000	1	131.9550	0.000	1	131.9550	0.000	1	131.9550	0.000	1	131.9550	0.000	1	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5,5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	C[6a](C[5,6a]C[3,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5,6a]C[3,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	130.5595	0.705	2	130.5595	0.497	2	130.5595	0.497	2	130.5595	0.497	2	130.5595	0.497	2	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,5|H<1>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	127.5030	0.000	1	127.5030	0.000	1	127.5030	0.000	1	127.5030	0.000	1	130.3806	6.061	5	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	133.9460	0.000	1	133.9460	0.000	1	133.9460	0.000	1	133.9460	0.000	1	130.3806	6.061	5	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	129.4875	0.670	2	129.4875	0.448	2	129.4875	0.448	2	129.4875	0.448	2	130.3806	6.061	5	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[3,6]-4:C[5,6a]-3:C[3]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H)	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH)	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH){3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	131.4790	0.000	1	131.4790	0.000	1	131.4790	0.000	1	131.4790	0.000	1	130.3806	6.061	5	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[3,5]-4:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H)	C[6a,6a](C[5,6a]C[5,6a]C[3,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5]){1|C<4>,3|C<3>,7|H<1>}	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H){1|C<4>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[3,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	131.9200	0.000	1	131.9200	0.000	1	131.9200	0.000	1	131.9200	0.000	1	132.2660	0.239	2	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6a,6a]-3:C[3,5]-4:C[5,6a]-3:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	C[6a,6a](C[5,6a]C[5,6a]C[3,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[3,5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	132.6120	0.000	1	132.6120	0.000	1	132.6120	0.000	1	132.6120	0.000	1	132.2660	0.239	2	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	131.4172	0.059	4	131.4172	0.003	4	130.8864	0.452	18	130.8864	0.452	18	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	130.5550	1.117	4	130.5550	1.247	4	130.8864	0.452	18	130.8864	0.452	18	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,5|C<3>}	130.6466	0.267	7	130.6466	0.071	7	130.8864	0.452	18	130.8864	0.452	18	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	130.2810	0.000	1	130.2810	0.000	1	130.8864	0.452	18	130.8864	0.452	18	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	131.6295	0.247	2	131.6295	0.061	2	130.8864	0.452	18	130.8864	0.452	18	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3,5]-4:O[3]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	130.2260	0.000	1	130.2260	0.000	1	130.2260	0.000	1	130.2260	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[5,6a,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:C[3]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2)	C[6a](C[5,6a]C[5,6a,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	135.0725	0.115	2	135.0725	0.013	2	135.0725	0.013	2	135.0725	0.013	2	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H){1|Br<1>,1|C<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<4>,3|C<3>}	135.0210	0.000	1	135.0210	0.000	1	135.0430	0.001	2	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	135.0650	0.000	1	135.0650	0.000	1	135.0430	0.001	2	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.3845	0.870	2	132.3845	0.758	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.7490	0.000	1	132.7490	0.000	1	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.9530	0.000	1	132.9035	2.203	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	131.8540	0.000	1	132.9035	2.203	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.4108	0.330	4	132.4108	0.109	4	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.1170	0.000	1	133.1170	0.000	1	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.4015	4.027	2	133.4015	16.217	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.8280	0.000	1	133.8280	0.000	1	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,7|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.4420	0.000	1	133.4420	0.000	1	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,7|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.2270	0.000	1	132.9055	0.207	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,6|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.5840	0.000	1	132.9055	0.207	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	134.6260	0.000	1	134.6260	0.000	1	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	131.7370	0.000	1	132.7290	1.968	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.7210	0.000	1	132.7290	1.968	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	134.2950	0.000	1	134.2950	0.000	1	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.2030	0.000	1	133.5220	0.204	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.8410	0.000	1	133.5220	0.204	2	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.8230	0.000	1	132.2529	1.887	7	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.6025	0.005	2	132.2529	1.887	7	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	132.2570	0.000	1	132.2529	1.887	7	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.5940	0.000	1	132.2529	1.887	7	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.9455	0.646	2	132.2529	1.887	7	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.9410	0.000	1	132.9410	0.000	1	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.8333	0.209	3	133.5913	0.264	4	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.8650	0.000	1	133.5913	0.264	4	132.9549	1.446	34	133.0709	1.598	36	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,8|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	130.2550	0.444	2	130.2550	0.197	2	130.2550	0.197	2	130.2550	0.197	2	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.4050	0.000	1	129.5302	0.204	4	129.5302	0.204	4	129.5302	0.204	4	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.0950	0.000	1	129.5302	0.204	4	129.5302	0.204	4	129.5302	0.204	4	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.8105	0.499	2	129.5302	0.204	4	129.5302	0.204	4	129.5302	0.204	4	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5]){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	126.4530	0.000	1	126.4530	0.000	1	126.4530	0.000	1	126.4530	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]C)(H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO){1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	127.6905	0.114	2	127.6905	0.013	2	127.6790	0.007	3	127.6790	0.007	3	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO){1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	127.6560	0.000	1	127.6560	0.000	1	127.6790	0.007	3	127.6790	0.007	3	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	127.9420	0.000	1	127.9420	0.000	1	127.9420	0.000	1	127.9420	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	133.3440	0.000	1	133.3440	0.000	1	132.4436	1.438	10	132.4436	1.438	10	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	130.9385	1.170	2	131.9232	1.628	5	132.4436	1.438	10	132.4436	1.438	10	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	132.5850	1.382	2	131.9232	1.628	5	132.4436	1.438	10	132.4436	1.438	10	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	132.5690	0.000	1	131.9232	1.628	5	132.4436	1.438	10	132.4436	1.438	10	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	132.7903	1.316	3	132.7903	1.733	3	132.4436	1.438	10	132.4436	1.438	10	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	133.1050	0.000	1	133.1050	0.000	1	132.4436	1.438	10	132.4436	1.438	10	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	132.7670	0.526	2	132.7670	0.277	2	132.8757	0.174	3	132.8757	0.174	3	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	133.0930	0.000	1	133.0930	0.000	1	132.8757	0.174	3	132.8757	0.174	3	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<2>,3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	128.1420	0.000	1	128.1420	0.000	1	129.3383	0.642	4	129.8750	1.922	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.6780	0.000	1	129.6780	0.000	1	129.3383	0.642	4	129.8750	1.922	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	129.8480	0.000	1	129.7665	0.013	2	129.3383	0.642	4	129.8750	1.922	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.6850	0.000	1	129.7665	0.013	2	129.3383	0.642	4	129.8750	1.922	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	132.0220	0.000	1	132.0220	0.000	1	132.0220	0.000	1	129.8750	1.922	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	134.6570	0.000	1	134.6570	0.000	1	134.6570	0.000	1	133.9888	0.632	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.9990	0.000	1	132.9990	0.000	1	133.4575	0.420	2	133.9888	0.632	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.9160	0.000	1	133.9160	0.000	1	133.4575	0.420	2	133.9888	0.632	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	134.8990	0.000	1	134.8990	0.000	1	134.8990	0.000	1	133.9888	0.632	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	133.4730	0.000	1	133.4730	0.000	1	133.4730	0.000	1	133.9888	0.632	5	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	130.1370	0.000	1	130.1370	0.000	1	130.1370	0.000	1	130.1370	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	128.8100	0.000	1	128.8100	0.000	1	128.8100	0.000	1	128.8100	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	130.2860	0.000	1	130.2860	0.000	1	130.2860	0.000	1	130.2860	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.5240	0.000	1	129.5240	0.000	1	129.5240	0.000	1	128.0257	1.843	3	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	127.2765	0.564	2	127.2765	0.318	2	127.2765	0.318	2	128.0257	1.843	3	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	128.0670	0.000	1	128.0670	0.000	1	128.0670	0.000	1	132.6518	5.817	6	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	134.5980	0.000	1	134.5980	0.000	1	133.4853	0.950	3	132.6518	5.817	6	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.9290	0.209	2	132.9290	0.044	2	133.4853	0.950	3	132.6518	5.817	6	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	134.6710	0.000	1	133.6940	1.909	2	133.6940	1.909	2	132.6518	5.817	6	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.7170	0.000	1	133.6940	1.909	2	133.6940	1.909	2	132.6518	5.817	6	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,8|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH){4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	129.5160	0.000	1	129.5160	0.000	1	129.5160	0.000	1	129.5160	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	128.3820	0.000	1	128.3820	0.000	1	128.3820	0.000	1	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.0240	0.000	1	129.0240	0.000	1	129.2857	0.075	6	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.0550	0.000	1	129.0550	0.000	1	129.2857	0.075	6	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.5790	0.000	1	129.5790	0.000	1	129.2857	0.075	6	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	129.6740	0.000	1	129.3520	0.078	3	129.2857	0.075	6	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	129.1910	0.000	2	129.3520	0.078	3	129.2857	0.075	6	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.2910	0.000	1	129.3308	0.255	6	129.1964	0.339	7	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.5590	0.000	1	129.3308	0.255	6	129.1964	0.339	7	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.8210	0.000	1	129.3308	0.255	6	129.1964	0.339	7	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	129.1047	0.644	3	129.3308	0.255	6	129.1964	0.339	7	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	128.3900	0.000	1	128.3900	0.000	1	129.1964	0.339	7	129.1765	0.240	14	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.6780	0.000	1	127.6780	0.000	1	127.6780	0.000	1	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	128.4340	0.000	1	128.4340	0.000	1	129.1905	1.145	2	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	129.9470	0.000	1	129.9470	0.000	1	129.1905	1.145	2	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H){1|Se<1>,3|H<1>,6|C<3>}	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Cl)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,3|C<4>}	130.3910	0.000	1	130.3910	0.000	1	130.3910	0.000	1	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	129.4120	0.000	1	129.1337	0.165	3	128.9530	0.148	5	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	129.3210	0.000	1	129.1337	0.165	3	128.9530	0.148	5	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	128.6680	0.000	1	129.1337	0.165	3	128.9530	0.148	5	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	128.5900	0.000	1	128.5900	0.000	1	128.9530	0.148	5	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	128.7740	0.000	1	128.7740	0.000	1	128.9530	0.148	5	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:P-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,3|C<4>}	129.6650	0.000	1	129.6650	0.000	1	129.6650	0.000	1	128.6985	2.256	11	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,6|H<1>}	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	131.3620	0.000	1	131.3620	0.000	1	131.3620	0.000	1	129.3640	1.816	4	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	128.4880	0.000	1	128.4880	0.000	1	128.4880	0.000	1	129.3640	1.816	4	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	128.8030	0.243	2	128.8030	0.059	2	128.8030	0.059	2	129.3640	1.816	4	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	5:5:3:4:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	B[3,3]-5:B[3,3]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<2>,1|P<3>,5|C<3>,5|H<1>}	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,1|P<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|B<5>,2|C<4>}	130.7450	0.000	1	130.7450	0.000	1	130.7450	0.000	1	130.7450	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	6:3:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	Nb[3,5,6,6]-6:N[3]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[3,5](Nb[3,5,6,6]P[5,6,6]N[3]N[6]2C)(N[3]Nb[3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[3,5](Nb[3,5,6,6]P[5,6,6]N[3]N[6]2C)(N[3]Nb[3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[6a]	4:3:3:	8:3:3:1:	3:3:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	Nb[3x3,5,6,6]-8:N[3]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[3,5](Nb[3x3,5,6,6]P[5,6,6]S[3,3]N[3]N[6]2O[3]2)(N[3]Nb[3x3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|S<5>,2|H<1>,2|N<3>,2|O<2>,4|C<3>}	C[3,5](Nb[3x3,5,6,6]P[5,6,6]S[3,3]N[3]N[6]2O[3]2)(N[3]Nb[3x3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,3|C<4>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	125.6120	0.000	1	125.6120	0.000	1	125.6120	0.000	1	125.6120	0.000	1	131.0635	5.639	136	131.0557	5.468	146
727	486	643	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	128.8740	0.000	1	128.8740	0.000	1	128.8740	0.000	1	128.8740	0.000	1	128.9080	0.002	2	128.9080	0.002	2
727	486	643	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:4:3:	C[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	128.9420	0.000	1	128.9420	0.000	1	128.9420	0.000	1	128.9420	0.000	1	128.9080	0.002	2	128.9080	0.002	2
727	486	727	0:SP2_SP2_SP3	C[5,5a]	C[3,5]	C[5a]	3:4:3:	3:4:4:3:	3:3:3:	N[5,5a]-3:C[3,5]-4:C[5a]-3:	C[5,5a]-3:C[3,5]-4:C[3]-4:C-3:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C)	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[3,5])(CHO)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C){2|C<3>,5|H<1>}	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[3,5])(CHO){1|H<1>,3|C<3>,3|C<4>}	141.1530	0.000	1	141.1530	0.000	1	141.1530	0.000	1	141.1530	0.000	1	141.1530	0.000	1	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,6|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5]){1|Si<4>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	132.5910	0.000	1	132.5910	0.000	1	132.5910	0.000	1	132.5910	0.000	1	132.5910	0.000	1	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a,6,6]	C[3,6,6]	C[5a]	3:4:3:	4:4:3:1:	3:3:3:	C[5a,6,6]-3:C[3,6,6]-4:C[5a]-3:	C[3,5,6]-4:C[3,5,6]-4:C[5a,6,6]-3:H-1:	C[5a,6,6]-3:C[5a]-3:N-3:	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3,6,6])(C[5a]N[5a]H)(NOO)	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N){3|H<1>,4|C<4>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a](C[5a,6,6]C[5a,6,6]C[3,6,6])(C[5a]N[5a]H)(NOO){1|H<1>,4|C<4>}	136.3400	0.000	1	136.3400	0.000	1	136.3400	0.000	1	136.3400	0.000	1	136.3400	0.000	1	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a,6a]	3:3:4:	3:5:2:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[3,6]-4:	C[5a,6]-3:C[3,6]-5:H[3]-2:N-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N)	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC)	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N){2|C<3>,2|C<4>,2|S<2>,3|H<1>}	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|H<2>,1|N<3>,2|C<4>,2|H<1>}	128.2570	0.000	1	128.2570	0.000	1	128.2570	0.000	1	128.2570	0.000	1	128.2570	0.000	1	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a]	3:4:3:	3:3:4:3:	3:3:1:	N[5a,6]-3:C[3,6]-4:C[5a]-3:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H)	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[3,6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H){2|H<1>,6|C<3>}	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[3,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	129.1970	0.000	1	129.1970	0.000	1	129.1970	0.000	1	129.1970	0.000	1	129.3747	0.024	3	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a]	3:4:3:	3:4:4:1:	3:3:4:	C[5a,6]-3:C[3,6]-4:C[5a]-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]N[5a]H)(CHHO)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]N[5a]H)(CHHO){1|C<3>,1|H<1>,3|C<4>}	129.4610	0.000	1	129.4610	0.000	1	129.4610	0.000	1	129.4610	0.000	1	129.3747	0.024	3	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a]	4:3:3:	3:4:4:3:	3:3:1:	C[3,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]C[5a]S)(H)	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H){1|S<4>,3|H<1>,5|C<3>}	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>,2|C<4>}	129.4660	0.000	1	129.4660	0.000	1	129.4660	0.000	1	129.4660	0.000	1	129.3747	0.024	3	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3,6]	C[5a]	4:3:3:	4:4:3:4:	3:3:1:	C[3,6]-4:C[5a]-3:N[5a]-3:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]N[5a])(H)	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]N[5a])(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	126.1640	0.038	2	126.1640	0.001	2	126.1640	0.001	2	126.1640	0.001	2	126.1640	0.001	2	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H)	C[3](C[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[3](C[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	126.1270	0.000	1	126.1270	0.000	1	126.1270	0.000	1	126.1270	0.000	1	126.1640	0.003	2	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[3]-4:C[5a]-3:	C[5a]-3:C[3]-4:N[3]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C)	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	126.2010	0.000	1	126.2010	0.000	1	126.2010	0.000	1	126.2010	0.000	1	126.1640	0.003	2	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:O[5a]-2:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]O[5a]C[3])(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]O[5a]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	133.4940	0.000	1	133.4940	0.000	1	133.4940	0.000	1	128.4045	51.806	2	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:2:4:	3:4:4:1:	3:3:1:	C[5a]-3:S[5a]-2:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[3]C[3]2H){1|Cl<1>,2|C<3>,3|H<1>}	C[3](C[5a]C[5a]S[5a])(C[3]C[3]ClH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(H){2|C<3>,2|C<4>,2|H<1>}	123.3150	0.000	1	123.3150	0.000	1	123.3150	0.000	1	128.4045	51.806	2	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:2:4:	3:4:4:1:	3:3:4:	C[5a]-3:S[5a]-2:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]C[5a]S[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3)	C[5a](C[5a]C[5a,6a]B)(S[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]S[5a])(C[3]C[3]HH)2(H){1|B<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[3])(BC[6a]3){2|C<3>,2|C<4>,2|H<1>}	128.0650	0.000	1	128.0650	0.000	1	128.0650	0.000	1	128.0650	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:2:3:	N[5a]-3:C[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]N[5a]C[3])(N[5a]N[5a])(CNO)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){2|C<3>,2|N<2>}	C[5a](C[5a]N[5a]C[3])(N[5a]N[5a])(CNO){1|C<3>,1|H<1>,2|C<4>}	128.3400	0.000	1	128.3400	0.000	1	128.3400	0.000	1	128.3400	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H)	C[3](C[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[3](C[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	127.8520	0.000	1	127.8520	0.000	1	127.8520	0.000	1	129.5763	3.253	3	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	129.4270	0.000	1	129.4270	0.000	1	129.4270	0.000	1	129.5763	3.253	3	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H){1|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	131.4500	0.000	1	131.4500	0.000	1	131.4500	0.000	1	129.5763	3.253	3	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a]-3:C[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H)	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H){1|S<4>,2|H<1>,6|C<3>}	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	127.1580	0.000	1	127.1580	0.000	1	127.1580	0.000	1	127.1580	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H)	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S)	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H){1|S<4>,2|H<1>,6|C<3>}	C[3](C[5a]C[5a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S){2|C<4>,3|C<3>,3|H<1>}	127.0610	0.000	1	127.0610	0.000	1	127.0610	0.000	1	128.7120	5.452	2	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	130.3630	0.000	1	130.3630	0.000	1	130.3630	0.000	1	128.7120	5.452	2	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:4:2:	3:4:4:1:	3:2:2:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]N)(C[3]C[3]2H)(N[5a]O[5a])	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]N[5a]C[3])(N[5a]O[5a])(NN)	C[5a](C[5a]N[5a]N)(C[3]C[3]2H)(N[5a]O[5a]){4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]C[3])(N[5a]O[5a])(NN){1|H<1>,2|C<4>}	130.4840	0.000	1	130.4840	0.000	1	130.4840	0.000	1	130.4840	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	130.3760	0.000	1	130.3760	0.000	1	130.3760	0.000	1	132.6060	9.946	2	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[3]-4:O[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)	C[5a](C[5a]O[5a]C[3])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H){1|H<1>,4|C<3>}	C[5a](C[5a]O[5a]C[3])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	134.8360	0.000	1	134.8360	0.000	1	134.8360	0.000	1	132.6060	9.946	2	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:4:2:	3:4:4:1:	3:3:4:	C[5a]-3:C[3]-4:O[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH)	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a]){1|C<3>,1|S<2>,4|H<1>}	C[3](C[5a]C[5a]O[5a])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	132.6120	0.000	1	132.6120	0.000	1	132.6120	0.000	1	132.6120	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:4:2:	3:4:4:2:	3:3:1:	C[5a]-3:C[3]-4:S[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a])	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC)	C[5a](C[5a]S[5a]C[3])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[3]C[3]2O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3](C[5a]C[5a]S[5a])(C[3]C[6a]C[3]O)(C[3]C[3]CH)(OC){1|H<1>,4|C<3>}	C[5a](C[5a]S[5a]C[3])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	131.7840	0.000	1	131.7840	0.000	1	131.7840	0.000	1	131.7840	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[3]-4:C[5a]-3:	C[5a]-3:C[3]-4:N[3]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C)	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H)	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[3](C[5a]C[5a,6a]C[5a])(C[3]N[3]CH)(N[3]C[3]S)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C)(CNO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:4:3:	4:3:3:4:	3:3:1:	C[5a]-3:C[3]-4:C[5a]-3:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H)	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[5a](C[5a]C[5a]C[3])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H){1|S<4>,4|H<1>,5|C<3>}	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[3])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>,2|C<4>}	124.6810	0.000	1	124.6810	0.000	1	124.6810	0.000	1	124.6810	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	3:4:3:	4:3:3:4:	3:3:3:	C[5a]-3:C[3]-4:C[5a]-3:	C[3]-4:C[5a]-3:C[6a]-3:C[3]-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H)	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH)	C[5a](C[5a]C[5a]C[3])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H){1|S<4>,4|H<1>,5|C<3>}	C[3](C[3]C[6a]C[3]H)(C[5a]C[5a]2)(C[6a]C[6a]2)(C[3]C[3]HH){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[3])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	128.6870	0.000	1	128.6870	0.000	1	128.6870	0.000	1	128.6870	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	4:3:2:	3:4:2:1:	3:3:1:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	C[5a](C[5a]O[5a]C[3])(C[5a]C[5a]C)(H)	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>}	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	C[5a](C[5a]O[5a]C[3])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<4>}	138.8720	1.008	3	138.8720	1.017	3	138.8720	1.017	3	138.8720	1.017	3	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	4:3:2:	3:4:3:1:	3:3:1:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:P[3]-4:N[3]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H)	C[5a](C[5a]O[5a]C[3])(C[5a]C[5a]H)(H)	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|W<6>,2|C<4>,2|H<1>}	C[3](C[5a]C[5a]O[5a])(P[3]N[3]CW)(N[3]P[3]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]O[5a]C[3])(C[5a]C[5a]H)(H){1|N<3>,1|P<4>,2|H<1>}	133.6260	0.000	1	133.6260	0.000	1	133.6260	0.000	1	133.6260	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	0:SP2_SP2_SP3	C[5a]	C[3]	C[5a]	4:3:2:	3:4:3:3:	3:3:1:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[3]-4:N[3]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a])	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[5a](C[5a]O[5a]C[3])(C[5a]C[5a]C)(H)	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a](C[5a]O[5a]C[3])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	132.9050	0.000	1	132.9050	0.000	1	132.9050	0.000	1	132.9050	0.000	1	130.8200	18.801	23	130.5877	19.750	34
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	108.4675	0.107	2	108.4675	0.011	2	108.4675	0.011	2	108.7202	0.045	6	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	108.9010	0.047	2	108.9010	0.002	2	108.9010	0.002	2	108.7202	0.045	6	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	108.7920	0.085	2	108.7920	0.007	2	108.7920	0.007	2	108.7202	0.045	6	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	109.0005	0.186	2	109.0005	0.035	2	109.0005	0.035	2	108.5629	0.102	32	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[4,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[4,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	108.6220	0.272	4	108.6220	0.074	4	108.5419	0.097	28	108.5629	0.102	32	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<4>,5|C<3>}	108.3675	0.271	4	108.3675	0.073	4	108.5419	0.097	28	108.5629	0.102	32	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	108.5859	0.375	15	108.5859	0.140	15	108.5419	0.097	28	108.5629	0.102	32	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	108.5960	0.000	1	108.5960	0.000	1	108.5419	0.097	28	108.5629	0.102	32	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	108.4355	0.006	2	108.4355	0.000	2	108.5419	0.097	28	108.5629	0.102	32	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	108.4795	0.086	2	108.4795	0.007	2	108.5419	0.097	28	108.5629	0.102	32	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	108.4195	0.257	2	108.4195	0.066	2	108.4195	0.066	2	108.5629	0.102	32	108.5877	0.095	38	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	3:3:4:	4:3:4:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){4|C<4>,6|C<3>}	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	109.8397	0.066	4	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	3:3:4:	4:3:4:4:	3:3:3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){4|C<4>,6|C<3>}	109.6480	0.000	1	109.6480	0.000	1	109.7297	0.026	3	109.8397	0.066	4	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	3:3:4:	4:3:4:4:	3:3:3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])2(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])2(C[5a,6a,6a]C[5a,6a,6a]2){4|C<4>,6|C<3>}	109.7705	0.203	2	109.7705	0.041	2	109.7297	0.026	3	109.8397	0.066	4	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,2|C<4>,6|C<3>}	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	107.6015	0.000	2	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){1|O<2>,2|C<4>,6|C<3>}	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.6015	0.000	2	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.1745	0.766	2	108.1745	0.586	2	108.2128	0.111	9	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.3560	0.000	1	108.3560	0.000	1	108.2128	0.111	9	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.1623	0.293	4	108.1623	0.086	4	108.2128	0.111	9	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.2920	0.000	1	108.2920	0.000	1	108.2128	0.111	9	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.2690	0.000	1	108.2690	0.000	1	108.2128	0.111	9	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a]){2|C<4>,7|C<3>}	108.1910	0.079	2	108.1910	0.006	2	108.1910	0.006	2	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	107.8210	0.000	1	107.8210	0.000	1	107.9504	0.073	5	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	107.9827	0.300	4	107.9827	0.090	4	107.9504	0.073	5	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[3,5,6,6]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6a]C[3,5,6,6]C[5,6,6a]){2|C<4>,7|C<3>}	108.3215	0.752	4	108.3215	0.565	4	108.2971	0.303	7	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a]){2|C<4>,7|C<3>}	108.2647	0.239	3	108.2647	0.057	3	108.2971	0.303	7	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a]){2|C<4>,7|C<3>}	108.5070	0.319	3	108.5070	0.102	3	108.4478	0.071	5	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[5,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a]){2|C<4>,7|C<3>}	108.3590	0.232	2	108.3590	0.054	2	108.4478	0.071	5	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	108.4220	0.000	1	108.4220	0.000	1	108.0335	0.302	2	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<2>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	107.6450	0.000	1	107.6450	0.000	1	108.0335	0.302	2	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH){8|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	107.9417	0.227	8	107.9417	0.051	8	108.0962	0.063	25	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<2>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	108.1495	0.029	2	108.1689	0.054	17	108.0962	0.063	25	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	108.1715	0.248	15	108.1689	0.054	17	108.0962	0.063	25	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.1504	0.109	61	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){3|C<4>,6|C<3>}	107.7650	0.274	2	107.7650	0.075	2	107.7650	0.075	2	108.6213	0.915	8	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){3|C<4>,6|C<3>}	107.6780	0.000	1	107.6780	0.000	1	108.3207	0.787	3	108.6213	0.915	8	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){3|C<4>,6|C<3>}	107.9510	0.000	1	107.9510	0.000	1	108.3207	0.787	3	108.6213	0.915	8	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	109.3330	0.000	1	109.3330	0.000	1	108.3207	0.787	3	108.6213	0.915	8	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	108.9320	0.000	1	108.9320	0.000	1	108.9320	0.000	1	108.6213	0.915	8	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[3x6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[3x6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	109.7730	0.516	2	109.7730	0.266	2	109.7730	0.266	2	108.6213	0.915	8	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:3:4:2:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[3x6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[3x6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<4>,1|O<2>,2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,3|C<4>,5|C<3>}	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	108.9435	0.707	2	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:3:4:2:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,3x6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,3x6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){2|O<2>,3|C<4>,5|C<3>}	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|O<2>,3|C<4>,5|C<3>}	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	108.9435	0.707	2	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6a,6a]	4:3:3:	4:4:3:2:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|O<2>,2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	C[5,6a,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,3|C<4>,5|C<3>}	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.2925	0.355	78	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	108.5430	0.015	2	108.5430	0.015	2	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O)	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[3,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[5]N[5]O){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	108.5430	0.015	2	108.5430	0.015	2	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5,5,6]	C[5,6a]	4:3:3:	4:4:3:4:	3:3:3:	C[3,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H)	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5,5]	C[5,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	108.7785	1.023	2	108.7785	1.047	2	108.7785	1.047	2	108.7785	1.047	2	108.7785	1.047	2	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5,6]	C[5,6a]	4:3:3:	3:4:3:4:	3:4:3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,5|H<1>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	112.5790	0.000	1	112.5790	0.000	1	112.5790	0.000	1	112.5790	0.000	1	109.4448	7.593	5	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5,6]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:2:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6])	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,1|S<4>,6|C<3>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	105.0940	0.000	1	105.0940	0.000	1	105.0940	0.000	1	105.0940	0.000	1	109.4448	7.593	5	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5,6]	C[5,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	110.0825	0.896	2	110.0825	0.803	2	110.0825	0.803	2	110.0825	0.803	2	109.4448	7.593	5	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5,6]	C[5,6a]	4:3:3:	4:4:3:4:	3:3:3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[3,6]-4:C[5,6a]-3:C[3]-4:	N[5,5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H)	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH)	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH){3|C<4>,4|H<1>,5|C<3>}	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	109.4448	7.593	5	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[5,6a,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:C[3]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2)	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a,6a]C[6a])(C[3]C[6a]C[3]H)(C[5]C[5,6a]O)(C[3]C[3]Br2){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[3,5]C[6a])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	106.6555	0.032	2	106.6555	0.001	2	106.6555	0.001	2	106.6555	0.001	2	106.6555	0.001	2	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[3,5]-4:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5]){1|C<4>,3|C<3>,7|H<1>}	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3]C[3]HH)2(C[5]C[5]H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	106.9730	0.000	1	106.9730	0.000	1	106.9730	0.000	1	106.9730	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[3,5]C[6a])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	109.3890	0.150	2	109.3890	0.022	2	109.3890	0.022	2	109.3890	0.022	2	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	108.1492	0.085	4	108.1492	0.007	4	108.8113	0.264	16	108.8113	0.264	16	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CH)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.0798	0.600	4	109.0798	0.360	4	108.8113	0.264	16	108.8113	0.264	16	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.2480	0.000	1	109.0080	0.073	8	108.8113	0.264	16	108.8113	0.264	16	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]HH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	108.9737	0.272	7	109.0080	0.073	8	108.8113	0.264	16	108.8113	0.264	16	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:2:	3:3:4:	C[6a,6a]-3:C[3,5]-4:C[5,6a]-3:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5])	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3,5]C[3,6]C[5]S[3])(C[5,6a]C[6a]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	106.7690	0.000	1	106.7690	0.000	1	106.7690	0.000	1	106.7690	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]H){1|Br<1>,1|C<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	107.3020	0.000	1	107.3020	0.000	1	107.3020	0.000	1	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	107.3980	0.000	1	107.3980	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.2070	0.000	1	107.8120	0.454	3	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.6145	0.821	2	107.8120	0.454	3	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.2660	0.000	1	106.2660	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.0880	0.000	1	108.0880	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.3490	0.000	1	107.3990	0.022	5	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.4115	0.167	4	107.3990	0.022	5	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.0730	0.000	1	106.0730	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]CH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.1050	0.710	2	106.1050	0.504	2	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,7|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]N){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	107.1290	0.000	1	107.1290	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,7|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.1150	0.000	1	107.1150	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.7280	0.000	1	106.7280	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	105.7450	0.000	1	105.7450	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4630	0.000	1	108.4630	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]Br2)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.4910	0.000	1	106.4910	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.8340	0.000	1	107.5942	0.858	6	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.8120	0.100	2	107.5942	0.858	6	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.5110	0.000	1	107.5942	0.858	6	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.2980	0.805	2	107.5942	0.858	6	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.3120	0.000	1	106.6860	0.280	2	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.0600	0.000	1	106.6860	0.280	2	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.7980	0.000	1	109.7980	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]N){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	107.3900	0.000	1	107.3900	0.000	1	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.4820	0.111	3	106.7145	0.224	4	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]N[5]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.4120	0.000	1	106.7145	0.224	4	107.2094	0.820	34	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,6|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]N[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.2150	0.774	36	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,8|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.7965	0.400	2	109.7965	0.160	2	109.7965	0.160	2	109.7965	0.160	2	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	110.5460	0.000	1	110.8320	1.888	4	110.8320	1.888	4	110.8320	1.888	4	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	110.0070	0.000	1	110.8320	1.888	4	110.8320	1.888	4	110.8320	1.888	4	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	3:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	111.3875	2.070	2	110.8320	1.888	4	110.8320	1.888	4	110.8320	1.888	4	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:2:	3:4:4:3:	3:3:2:	C[3,5]-4:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[3,6]-4:C[3,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a])	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H)	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[3,5]C[3,6]2C[5])(C[5,6a]N[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]N[6a])(C[3,6]C[3,6]C[6]H)2(C[5]C[5]H){1|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	108.5935	0.062	2	108.5935	0.004	2	108.5935	0.004	2	108.5935	0.004	2	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:3:3:2:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[6a]-3:O[3]-2:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5])	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]O[3]S[5])(C[6a]C[6a]2)(O[3]N[3,5]){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	113.2840	0.000	1	113.2840	0.000	1	113.2840	0.000	1	113.2840	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:3:4:3:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CH)(COO){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	113.1650	0.519	2	113.1650	0.269	2	113.1577	0.135	3	113.1577	0.135	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:3:4:3:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[3,5]-3:C[3]-4:C-3:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(N[3,5]C[3]S[5])(C[3]N[3,5]CI)(COO){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	113.1430	0.000	1	113.1430	0.000	1	113.1577	0.135	3	113.1577	0.135	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:N[3,5]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3,5]C[6a]H)(N[3,5]C[3]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.6950	0.000	1	106.6950	0.000	1	106.6645	0.260	10	106.6645	0.260	10	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.8085	0.595	2	106.8085	0.354	2	106.6645	0.260	10	106.6645	0.260	10	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.9450	0.655	3	106.6628	0.472	5	106.6645	0.260	10	106.6645	0.260	10	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.2395	0.660	2	106.6628	0.472	5	106.6645	0.260	10	106.6645	0.260	10	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.4570	0.000	1	106.4570	0.000	1	106.6645	0.260	10	106.6645	0.260	10	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.5620	0.000	1	106.5620	0.000	1	106.6645	0.260	10	106.6645	0.260	10	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]CH)(C[5]N[5]O)(N[3]C[3]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	106.6205	0.128	2	106.6205	0.016	2	106.3570	0.216	3	106.3570	0.216	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[5]-3:N[3]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]N[3]HH)(C[5]N[5]O)(N[3]C[3]S){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	105.8300	0.000	1	105.8300	0.000	1	106.3570	0.216	3	106.3570	0.216	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3,5]-4:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,4|H<1>}	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<2>,3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	110.6100	0.000	1	110.6100	0.000	1	110.2593	0.144	3	110.2593	0.144	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	110.3110	0.000	1	110.3110	0.000	1	110.2593	0.144	3	110.2593	0.144	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]SiH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	109.8570	0.000	1	109.8570	0.000	1	110.2593	0.144	3	110.2593	0.144	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	106.8760	0.216	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[5]N[5]O){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.6650	0.000	1	107.6650	0.000	1	107.2270	0.384	2	106.8760	0.216	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]S[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.7890	0.000	1	106.7890	0.000	1	107.2270	0.384	2	106.8760	0.216	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,6]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.4910	0.000	1	106.4910	0.000	1	106.4910	0.000	1	106.8760	0.216	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3]-4:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.8500	0.000	1	106.8500	0.000	1	106.8500	0.000	1	106.8760	0.216	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:2:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	108.9703	6.605	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]C[5]H)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	108.4865	3.436	2	108.4865	11.805	2	108.4865	11.805	2	108.9703	6.605	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]N){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	105.6170	0.000	1	105.6170	0.000	1	107.3053	3.007	3	106.9748	1.710	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.1495	1.319	2	108.1495	1.739	2	107.3053	3.007	3	106.9748	1.710	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.5330	0.000	1	106.5330	0.000	1	106.4790	0.006	2	106.9748	1.710	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.4250	0.000	1	106.4250	0.000	1	106.4790	0.006	2	106.9748	1.710	5	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6a]-3:C[3]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,8|H<1>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	110.1490	0.000	1	110.1903	0.001	3	110.1903	0.001	3	110.1903	0.001	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5]N[5])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	110.2110	0.000	2	110.1903	0.001	3	110.1903	0.001	3	110.1903	0.001	3	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	110.4820	0.000	1	110.4820	0.000	1	110.3073	0.157	3	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	110.5860	0.000	1	110.5860	0.000	1	110.3073	0.157	3	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	109.8540	0.000	1	109.8540	0.000	1	110.3073	0.157	3	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	109.8560	0.000	1	110.0835	0.104	2	110.2669	0.091	7	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	110.3110	0.000	1	110.0835	0.104	2	110.2669	0.091	7	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	110.3150	0.237	3	110.3150	0.056	3	110.2669	0.091	7	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	110.0400	0.000	1	110.0400	0.000	1	110.2669	0.091	7	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]P)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	110.7160	0.000	1	110.7160	0.000	1	110.2669	0.091	7	110.3380	0.124	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,6|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,3x5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,3x5]C[3,5]C[3x5]C[5])(C[3,5]C[3,3x5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	111.3800	0.000	1	111.3800	0.000	1	111.3800	0.000	1	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	110.7400	0.000	1	110.7400	0.000	1	110.6260	0.026	2	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.5120	0.000	1	110.5120	0.000	1	110.6260	0.026	2	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](P[5,5]C[3,5,5]C[5]Se)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H){1|Se<1>,3|H<1>,6|C<3>}	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	C[5,6a](P[5,5]C[3,5,5]C[5]Se)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	116.2710	0.000	1	116.2710	0.000	1	116.2710	0.000	1	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	110.8220	0.000	1	110.8220	0.000	1	110.6723	0.056	6	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.3090	0.000	1	110.5700	0.136	2	110.6723	0.056	6	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.8310	0.000	1	110.5700	0.136	2	110.6723	0.056	6	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.9130	0.000	1	110.9130	0.000	1	110.6723	0.056	6	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CNO){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.6890	0.000	1	110.6890	0.000	1	110.6723	0.056	6	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.4700	0.000	1	110.4700	0.000	1	110.6723	0.056	6	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:P-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|P<3>,3|C<3>}	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	111.2509	2.850	11	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:4:	3:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:4:	3:3:4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,6|H<1>}	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	4:4:3:4:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	110.8665	0.354	2	110.8665	0.126	2	110.8665	0.126	2	110.8665	0.126	2	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	5:5:3:4:	3:3:4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	B[3,3]-5:B[3,3]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<2>,1|P<3>,5|C<3>,5|H<1>}	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,1|P<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,2|B<5>,4|H<1>}	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	6:3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	Nb[3,5,6,6]-6:N[3]-3:C[5,6a]-3:H-1:	P[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[3,5](Nb[3,5,6,6]P[5,6,6]N[3]N[6]2C)(N[3]Nb[3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](P[5,6,6]Nb[3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[3,5](Nb[3,5,6,6]P[5,6,6]N[3]N[6]2C)(N[3]Nb[3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,8|C<3>}	C[5,6a](P[5,6,6]Nb[3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,3|N<3>,5|C<3>}	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	5:SP2_SP2_SP3	C[5,6a]	C[3,5]	C[5,6a]	4:3:3:	8:3:3:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	Nb[3x3,5,6,6]-8:N[3]-3:C[5,6a]-3:H-1:	P[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	C[3,5](Nb[3x3,5,6,6]P[5,6,6]S[3,3]N[3]N[6]2O[3]2)(N[3]Nb[3x3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](P[5,6,6]Nb[3x3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|S<5>,2|H<1>,2|N<3>,2|O<2>,4|C<3>}	C[3,5](Nb[3x3,5,6,6]P[5,6,6]S[3,3]N[3]N[6]2O[3]2)(N[3]Nb[3x3,5,6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,3|C<4>,8|C<3>}	C[5,6a](P[5,6,6]Nb[3x3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|S<5>,2|O<2>,3|H<1>,3|N<3>,5|C<3>}	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	108.8807	4.983	139	108.6550	2.928	267
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	3:3:4:	4:3:4:4:	3:3:3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){3|C<4>,6|C<3>}	124.1860	0.000	1	124.1860	0.000	1	124.1860	0.000	1	124.1860	0.000	1	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:2:	3:4:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){1|C<4>,1|O<2>,9|C<3>}	122.5650	0.000	1	122.5650	0.000	1	122.5650	0.000	1	122.5650	0.000	1	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,3|C<4>,7|C<3>}	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	122.9700	0.321	2	122.9700	0.103	2	122.9700	0.103	2	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	124.0717	1.694	3	124.0717	2.871	3	123.9583	0.804	9	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	123.7615	0.266	4	123.7615	0.071	4	123.9583	0.804	9	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	124.1820	0.430	2	124.1820	0.185	2	123.9583	0.804	9	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	123.7430	0.000	1	123.7430	0.000	1	123.7430	0.000	1	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2C[3])(C[3]C[3,5,6,6]CC){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	122.7920	0.000	1	122.7920	0.000	1	122.7920	0.000	1	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	122.9725	0.078	2	122.9725	0.006	2	123.0137	0.067	10	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	123.0180	0.340	5	123.0180	0.115	5	123.0137	0.067	10	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	122.9230	0.245	2	122.9230	0.060	2	123.0137	0.067	10	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5a,6,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	123.2560	0.000	1	123.2560	0.000	1	123.0137	0.067	10	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,7|C<3>}	123.9440	0.000	1	123.9440	0.000	1	123.8228	0.245	5	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,7|C<3>}	123.7925	0.566	4	123.7925	0.320	4	123.8228	0.245	5	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,7|C<3>}	123.7920	0.000	1	123.7920	0.000	1	123.7920	0.000	1	123.4877	0.504	29	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	123.0120	0.511	2	123.0120	0.261	2	123.0120	0.261	2	123.0120	0.261	2	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	122.5925	0.022	2	122.5925	0.000	2	122.5925	0.000	2	122.6006	0.146	32	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Ru<5>,4|C<4>,5|C<3>}	122.0520	0.523	2	122.0520	0.274	2	122.2097	0.157	4	122.6006	0.146	32	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Ru<5>,4|C<4>,5|C<3>}	122.3675	0.310	2	122.3675	0.096	2	122.2097	0.157	4	122.6006	0.146	32	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[4,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[4,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	122.4857	0.556	4	122.4857	0.309	4	122.6268	0.109	23	122.6006	0.146	32	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,4x6])(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	122.4515	0.128	2	122.4515	0.016	2	122.6268	0.109	23	122.6006	0.146	32	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])2(C[5,6,6a]C[5,6,6a]2){4|C<4>,6|C<3>}	122.6806	0.280	17	122.6806	0.079	17	122.6268	0.109	23	122.6006	0.146	32	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5,6,6a]2)2(C[3]C[3,5,6,6]CC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	122.5795	0.009	2	122.5795	0.000	2	122.5795	0.000	2	122.6006	0.146	32	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){2|C<4>,7|C<3>}	123.6210	0.000	1	123.6210	0.000	1	123.6210	0.000	1	122.6006	0.146	32	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){3|C<4>,8|C<3>}	124.8305	0.183	2	124.8305	0.034	2	124.8305	0.034	2	124.7552	0.094	4	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	124.3440	0.000	1	124.3440	0.000	1	124.6800	0.226	2	124.7552	0.094	4	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){3|C<4>,8|C<3>}	125.0160	0.000	1	125.0160	0.000	1	124.6800	0.226	2	124.7552	0.094	4	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:4:2:	3:3:4:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6,6a](C[3,5,6,6]C[3,3x6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6,6]O)	C[5,6,6a](C[3,5,6,6]C[3,3x6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){2|O<2>,3|C<4>,5|C<3>}	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6,6]O){2|C<4>,3|O<2>,5|C<3>}	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	123.5250	0.000	1	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:3:4:2:	3:4:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[3x6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[3x6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<4>,1|O<2>,2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,2|C<4>,6|C<3>}	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5,6,6a]	4:3:3:	4:4:3:2:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|O<2>,2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,2|C<4>,6|C<3>}	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	123.1146	0.649	73	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	3:3:4:	4:3:4:4:	3:3:3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[3,5,6,6]-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]2C[3]){3|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){11|C<3>,1|C<4>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){3|C<4>,6|C<3>}	124.7483	0.168	3	124.7483	0.028	3	124.7483	0.028	3	124.7483	0.028	3	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	123.4110	0.000	1	123.4110	0.000	1	123.3836	0.211	27	123.4004	0.212	31	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]CH){8|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	123.0925	0.424	8	123.0925	0.179	8	123.3836	0.211	27	123.4004	0.212	31	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<2>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	122.6893	0.440	3	123.5114	0.192	18	123.3836	0.211	27	123.4004	0.212	31	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	123.6758	0.177	15	123.5114	0.192	18	123.3836	0.211	27	123.4004	0.212	31	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){2|C<4>,7|C<3>}	123.8960	0.000	1	123.8960	0.000	1	123.3275	0.646	2	123.4004	0.212	31	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){2|C<4>,7|C<3>}	122.7590	0.000	1	122.7590	0.000	1	123.3275	0.646	2	123.4004	0.212	31	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5]-4:C[3,5,6,6]-4:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5])	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3,5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,5]C[3,5,6,6]C[5,6a]C[5])(C[3,5,6,6]C[5,6,6a]2C[3,5]){10|C<3>,1|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){2|C<4>,7|C<3>}	123.7000	0.201	2	123.7000	0.040	2	123.7000	0.040	2	123.4004	0.212	31	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6]-3:C[3]-4:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6]C[5,6,6]2)(C[3]C[3,5,6,6]CC){1|C<4>,7|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a]){2|C<4>,7|C<3>}	122.6040	0.127	2	122.6040	0.016	2	122.6040	0.016	2	122.6140	0.018	4	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[3,5,6,6]-4:C[5,6,6a]-3:C[3]-4:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[3,5,6,6]C[5,6,6a]2C[3])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a]){2|C<4>,7|C<3>}	122.6240	0.190	2	122.6240	0.036	2	122.6240	0.036	2	122.6140	0.018	4	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,7|C<3>}	123.4480	0.000	1	123.4480	0.000	1	123.4480	0.000	1	123.2042	0.375	5	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5a,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC)	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|C<4>,9|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]C[3])(C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[3]C[3,5,6,6]CC){8|C<3>}	C[5a,6,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a]){2|C<4>,7|C<3>}	122.6335	0.258	2	122.6335	0.067	2	122.6335	0.067	2	123.2042	0.375	5	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5,6,6a]	C[3,5,6,6]	C[5a,6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3]-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5a,6a,6a]-3:	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C)	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a])	C[5,6,6a](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3]C[3,5,6,6]C[6a]C){2|C<4>,9|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]C[3x6a]){2|C<4>,7|C<3>}	123.6530	0.564	2	123.6530	0.318	2	123.6530	0.318	2	123.2042	0.375	5	123.3984	0.383	43	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5a,6,6]	C[3,6,6]	C[5a,6,6]	3:4:3:	4:4:3:1:	4:3:3:	C[5a,6,6]-3:C[3,6,6]-4:C[5a]-3:	C[3,5,6]-4:C[3,5,6]-4:C[5a,6,6]-3:H-1:	C[5,3x6]-4:C[5a,6,6]-3:N[5a]-3:	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H)	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C)	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N){3|H<1>,4|C<4>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]H)(C[3,5,6]C[3,5,6]C[5,6]H)(C[5a,6,6]C[5a,6,6]C[5a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a,6]	3:3:4:	3:5:2:3:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[3,6]-4:	C[5a,6]-3:C[3,6]-5:H[3]-2:N-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N)	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC)	C[5a,6](C[5a,6]C[5a,6a]C[3,6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N){2|C<3>,2|C<4>,2|S<2>,3|H<1>}	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[3,6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|C<5>,1|H<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	123.5530	0.905	5	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a,6]	3:4:3:	3:4:4:1:	3:4:3:	C[5a,6]-3:C[3,6]-4:C[5a]-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[3,6]-4:N[5a]-3:	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	122.4340	0.000	1	122.4340	0.000	1	122.4340	0.000	1	123.1410	1.000	2	123.5530	0.905	5	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a,6]	3:4:3:	3:4:4:1:	3:4:3:	C[5a,6]-3:C[3,6]-4:N[5a]-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[3,6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	123.8480	0.000	1	123.8480	0.000	1	123.8480	0.000	1	123.1410	1.000	2	123.5530	0.905	5	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a,6]	4:3:3:	3:4:4:2:	3:4:2:	C[3,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a])	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C){1|C<4>,1|O<2>,5|H<1>}	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<4>}	124.1950	0.000	1	124.1950	0.000	1	124.1950	0.000	1	124.1950	0.000	1	123.5530	0.905	5	123.1878	0.827	122
727	486	727	6:SP2_SP2_SP3	C[5a,6]	C[3,6]	C[5a,6]	4:3:3:	3:4:4:3:	3:3:3:	C[3,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])(C[5a]N[5a]H)	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H){1|S<4>,3|H<1>,5|C<3>}	C[3,6](C[5a,6]C[5a,6]C[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	122.6820	0.000	1	122.6820	0.000	1	122.6820	0.000	1	122.6820	0.000	1	123.5530	0.905	5	123.1878	0.827	122
727	486	813	0:SP2_SP2_SP3	C[5a,6]	C[3,6]	N[5a]	3:4:3:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[3,6]-4:N[5a]-3:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H)	N[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]C[5a]H)(COO)	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[3]C[3,6]C[6a]C)(H){1|H<1>,2|C<4>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]C[5a]H)(COO){1|H<1>,4|C<4>}	128.5170	0.000	1	128.5170	0.000	1	128.5170	0.000	1	128.5170	0.000	1	129.9900	4.339	2	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a,6]	C[3,6]	N[5a]	4:3:3:	3:4:4:2:	3:2:4:	C[3,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C)	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH)	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C){1|C<4>,1|O<2>,5|H<1>}	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<4>}	131.4630	0.000	1	131.4630	0.000	1	131.4630	0.000	1	131.4630	0.000	1	129.9900	4.339	2	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3,6]	N[5a]	4:3:3:	4:4:3:4:	3:3:4:	C[3,6]-4:C[5a]-3:N[5a]-3:	C[3,6,6]-4:C[3,6]-4:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]C[5a])(SC[6a]OO)	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[5a]C[5a]N[5a])(C[6]N[6]HH){1|C<4>,2|S<4>,4|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]C[5a])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	125.3790	0.055	2	125.3790	0.003	2	125.3790	0.003	2	125.3790	0.003	2	125.3790	0.003	2	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a,5a]	3:4:2:	3:4:4:1:	3:3:3:	N[5a,5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,5a]N[5a])(C[3]C[3]HH)2(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|S<2>,2|C<3>,4|H<1>}	C[3](C[5a]N[5a,5a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,2|H<1>}	124.0115	0.675	2	124.0115	0.456	2	124.0115	0.456	2	124.0115	0.456	2	124.0115	0.456	2	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a,6a]	3:4:2:	3:4:4:1:	3:3:3:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3])	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|C<2>,2|C<3>,4|H<1>}	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|N<2>}	126.9790	0.000	1	126.9790	0.000	1	126.8550	0.031	2	126.2825	0.379	6	126.2825	0.379	6	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a,6a]	3:4:2:	3:4:4:1:	3:3:3:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3])	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	126.7310	0.000	1	126.7310	0.000	1	126.8550	0.031	2	126.2825	0.379	6	126.2825	0.379	6	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a,6a]	3:4:2:	3:4:4:1:	3:3:3:	N[5a,6a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	C[3](C[5a]N[5a,6a]N[5a])(C[3]C[3]HH)2(H){1|N<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	125.9963	0.542	4	125.9963	0.294	4	125.9963	0.294	4	126.2825	0.379	6	126.2825	0.379	6	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:2:4:	3:4:4:1:	3:3:1:	N[5a]-3:N[5a]-2:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H)	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H){2|C<3>,2|C<4>,2|H<1>}	123.0370	0.000	1	123.0370	0.000	1	123.0370	0.000	1	123.0370	0.000	1	124.1837	9.113	6	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:3:4:	3:4:4:1:	3:2:4:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H){1|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH){1|C<3>,2|C<4>,2|H<1>}	122.3490	0.000	1	122.3490	0.000	1	122.3490	0.000	1	122.3490	0.000	1	124.1837	9.113	6	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(H){2|C<4>,2|H<1>,3|C<3>}	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	124.1837	9.113	6	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:3:4:	3:4:4:1:	3:3:2:	N[5a]-3:C[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,3|H<1>}	127.6450	0.000	1	127.6450	0.000	1	127.6450	0.000	1	127.6450	0.000	1	124.1837	9.113	6	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H)	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[3](C[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	123.0960	0.000	1	123.0960	0.000	1	123.0960	0.000	1	123.0960	0.000	1	124.1837	9.113	6	125.6421	6.514	18
727	486	813	0:SP2_SP2_SP3	C[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:3:1:	N[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	C[5a](N[5a]C[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	C[3](C[5a]N[5a]2)(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|H<1>,2|C<3>,2|C<4>}	128.1980	0.000	1	128.1980	0.000	1	128.1980	0.000	1	128.1980	0.000	1	124.1837	9.113	6	125.6421	6.514	18
727	486	813	5:SP2_SP2_SP3	C[5,5a]	C[3,5]	N[5,5a]	3:4:3:	3:4:4:3:	3:3:4:	N[5,5a]-3:C[3,5]-4:C[5a]-3:	C[5,5a]-3:C[3,5]-4:C[3]-4:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C)	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C){2|C<3>,5|H<1>}	C[3,5](C[5,5a]N[5,5a]C[5a])(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(COO){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH){1|C<4>,2|H<1>,4|C<3>}	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1
727	486	813	6:SP2_SP2_SP3	C[5a,6]	C[3,6]	N[5a,6]	3:4:2:	3:4:4:1:	3:3:3:	N[5a,6]-3:C[3,6]-4:N[5a]-2:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(H){6|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	120.0872	1.072	4	120.0872	1.072	4
727	486	813	6:SP2_SP2_SP3	C[5a,6]	C[3,6]	N[5a,6]	3:4:3:	3:3:4:3:	3:3:3:	N[5a,6]-3:C[3,6]-4:C[5a]-3:	C[5a,6]-3:N[3,6]-3:C[3]-4:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H)	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H){2|H<1>,6|C<3>}	C[3,6](C[5a,6]N[5a,6]C[5a])(N[3,6]C[6,6a]C[3])(C[3]N[3,6]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	120.0872	1.072	4	120.0872	1.072	4
727	486	813	6:SP2_SP2_SP3	C[5a,6]	C[3,6]	N[5a,6]	4:3:2:	3:4:4:1:	3:3:2:	C[3,6]-4:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[3,6]-4:C[3]-4:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a])	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H)	N[5a,6](C[5a,6]C[3,6]N[5a])(C[5a]C[5a]Br)(N[6]C[6])	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	C[3,6](C[5a,6]N[5a,6]N[5a])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(H){1|Cl<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]C[3,6]N[5a])(C[5a]C[5a]Br)(N[6]C[6]){1|Cl<1>,2|C<4>,2|H<1>}	119.2570	0.215	2	119.2570	0.046	2	119.2570	0.046	2	119.2570	0.046	2	120.0872	1.072	4	120.0872	1.072	4
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CF3){1|Cr<8>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Cr<8>}	122.7460	0.000	1	123.8020	1.267	3	123.8020	1.267	3	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CF3){1|W<6>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|W<6>}	124.3300	0.928	2	123.8020	1.267	3	123.8020	1.267	3	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CH3){1|Ir<8>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Ir<8>}	124.1470	0.000	1	123.8205	0.441	4	123.8205	0.441	4	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CH3){1|Ni<6>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Ni<6>}	124.2350	0.000	1	123.8205	0.441	4	123.8205	0.441	4	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CH3){1|Si<6>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Si<6>}	123.4500	0.878	2	123.8205	0.441	4	123.8205	0.441	4	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:	C[5a](N[5a]C[5a])(N[5a]S[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(S[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]S[5a])(CH3){1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(S[5a]C[5a]){1|N<2>}	124.0760	0.853	2	124.0760	0.727	2	124.0760	0.727	2	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	129.0681	0.537	14	129.0987	0.257	16	129.0987	0.257	16	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	129.3135	0.067	2	129.0987	0.257	16	129.0987	0.257	16	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CF3)	C(C[5a]N[5a]S[5a])(F)3	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CF3){1|N<3>}	C(C[5a]N[5a]S[5a])(F)3	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<3>}	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>}	122.7670	0.000	1	123.3665	0.868	22	123.3665	0.868	22	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CH3){1|N<2>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>}	123.6120	0.787	4	123.3665	0.868	22	123.3665	0.868	22	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CH3){1|S<2>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|S<2>}	123.3439	0.992	17	123.3665	0.868	22	123.3665	0.868	22	125.3373	7.896	48	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	121.5080	0.297	2	121.5080	0.088	2	121.5080	0.088	2	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|C<3>}	120.5420	0.000	1	121.2987	1.206	3	121.7749	0.424	18	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	121.6770	1.246	2	121.2987	1.206	3	121.7749	0.424	18	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Cu<4>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Cu<4>,1|C<3>,1|N<3>}	122.0695	0.187	4	121.8702	0.284	15	121.7749	0.424	18	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Ir<6>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	121.1320	0.000	1	121.8702	0.284	15	121.7749	0.424	18	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Os<6>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Os<6>,1|C<3>,1|N<3>}	121.9623	0.733	4	121.8702	0.284	15	121.7749	0.424	18	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<3>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<3>,1|C<3>,1|N<3>}	122.2515	0.697	2	121.8702	0.284	15	121.7749	0.424	18	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<4>,1|C<3>,1|N<3>}	121.5727	0.360	4	121.8702	0.284	15	121.7749	0.424	18	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>}	121.3180	0.000	1	121.3180	0.000	1	122.0906	1.075	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	121.7325	1.406	2	121.7325	1.978	2	122.0906	1.075	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]W)	C[5a](N[5a]N[5a])2(CF3){1|W<6>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]W)	122.8350	0.600	2	122.8350	0.360	2	122.0906	1.075	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	120.8095	0.255	2	120.8095	0.065	2	120.8095	0.065	2	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Cu<4>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C){1|C<3>}	121.6257	0.447	4	121.6257	0.200	4	121.7456	0.499	16	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Ir<6>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C){1|C<3>}	121.9240	0.000	1	121.9240	0.000	1	121.7456	0.499	16	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Os)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Os<6>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Os)(C[5a]N[5a]C){1|C<3>}	121.5590	0.913	4	121.5590	0.833	4	121.7456	0.499	16	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<3>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C){1|C<3>}	121.2240	0.666	2	121.6270	0.197	6	121.7456	0.499	16	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C){1|C<3>}	121.8285	0.137	4	121.6270	0.197	6	121.7456	0.499	16	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]N[5a]Cr)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CF3){1|Cr<8>}	C(C[5a]N[5a]2)(F)3	N[5a](N[5a]N[5a]Cr)(C[5a]N[5a]C)	123.5040	0.000	1	123.5040	0.000	1	121.7456	0.499	16	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|B<4>,1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C){1|B<4>,1|C<3>,1|N<3>}	122.6680	0.000	1	122.6680	0.000	1	122.1070	0.603	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	121.9667	0.821	4	121.9667	0.673	4	122.1070	0.603	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3){1|C<4>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C){1|H<1>,2|C<4>}	121.6860	0.000	1	121.6860	0.000	1	121.6860	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	123.1740	0.000	1	123.1740	0.000	1	123.0273	1.313	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>}	123.7855	0.015	2	123.7855	0.000	2	123.0273	1.313	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|S<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]C){2|C<3>}	121.3640	0.000	1	121.3640	0.000	1	123.0273	1.313	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	122.9200	0.457	2	122.9200	0.209	2	121.9519	4.039	13	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	122.6840	0.884	2	122.4503	0.554	3	121.9519	4.039	13	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	121.9830	0.000	1	122.4503	0.554	3	121.9519	4.039	13	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2{1|B<4>}	123.0510	0.234	3	122.9736	0.074	5	121.9519	4.039	13	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2{1|C<3>}	122.5920	0.000	1	122.9736	0.074	5	121.9519	4.039	13	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Nb<8>,1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2{1|Nb<8>}	123.1230	0.000	1	122.9736	0.074	5	121.9519	4.039	13	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Ir<6>,1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	122.1450	0.000	1	122.1450	0.000	1	121.9519	4.039	13	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(CH3){1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	117.5855	0.924	2	117.5855	0.854	2	121.9519	4.039	13	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B){1|C<4>}	122.1750	0.099	3	122.1750	0.010	3	122.4813	0.382	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>}	123.4000	0.000	1	123.4000	0.000	1	122.4813	0.382	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|B<4>,1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C){1|N<3>,3|C<3>}	122.2720	0.000	1	122.2720	0.000	1	121.2588	1.278	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	121.0055	1.129	4	121.0055	1.276	4	121.2588	1.278	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3){1|C<4>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C){1|N<3>,1|O<2>,2|C<4>}	122.8870	0.000	1	122.8870	0.000	1	122.8870	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){1|N<2>,2|C<3>}	120.8365	0.370	2	120.8365	0.137	2	121.5325	1.135	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|S<2>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	123.0440	0.000	1	122.2285	1.330	2	121.5325	1.135	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	121.4130	0.000	1	122.2285	1.330	2	121.5325	1.135	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	123.7460	0.000	1	123.7460	0.000	1	123.0782	1.348	11	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	122.7010	0.802	2	122.5787	0.414	4	123.0782	1.348	11	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	122.4565	0.735	2	122.5787	0.414	4	123.0782	1.348	11	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Ir<6>,1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C){1|C<3>}	121.9190	0.000	1	121.9190	0.000	1	123.0782	1.348	11	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]Nb[3x3]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Nb<8>,1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]Nb[3x3]C[5a])(C[5a]N[5a]C){1|C<4>,7|N<3>}	121.3000	0.000	1	121.3000	0.000	1	123.0782	1.348	11	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CH3){1|Ir<8>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]Ir)(C[5a]N[5a]C)	123.5360	0.000	1	123.5360	0.000	1	123.0782	1.348	11	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]Ni)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CH3){1|Ni<6>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]Ni)(C[5a]N[5a]C)	123.6690	0.000	1	123.6690	0.000	1	123.0782	1.348	11	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CH3){1|Si<6>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C){2|N<2>,3|N<3>}	124.6875	0.743	2	124.6875	0.552	2	123.0782	1.348	11	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Br-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH)	C(C[5a]N[5a]O[5a])(Br)(H)2	N[5a](C[5a]C[5a]N[5])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH){1|C<3>,1|N<3>}	C(C[5a]N[5a]O[5a])(Br)(H)2	N[5a](C[5a]C[5a]N[5])(C[5a]O[5a]C){1|C<4>,2|C<3>}	127.4370	0.000	1	127.4370	0.000	1	127.4370	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]O[5a])(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|Cl<1>,2|C<3>}	126.9660	0.000	1	126.3580	0.739	2	126.3580	0.739	2	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]O[5a])(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	125.7500	0.000	1	126.3580	0.739	2	126.3580	0.739	2	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH){1|C<3>}	C(C[5a]N[5a]O[5a])(Cl)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	128.1103	0.754	6	128.1103	0.569	6	128.1103	0.569	6	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	C(C[5a]N[5a]O[5a])(F)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]N[5a]O[5a])(F)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	128.3780	0.000	1	127.4480	1.730	2	127.5412	0.520	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	C(C[5a]N[5a]O[5a])(F)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){2|C<3>}	C(C[5a]N[5a]O[5a])(F)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	126.5180	0.000	1	127.4480	1.730	2	127.5412	0.520	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3)	C(C[5a]N[5a]O[5a])(F)3	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3){1|C<3>}	C(C[5a]N[5a]O[5a])(F)3	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	127.6033	0.400	3	127.6033	0.160	3	127.5412	0.520	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH)	C(C[5a]N[5a]O[5a])(F)2(H)	N[5a](C[5a]N[5a]N[6])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH){1|N<3>}	C(C[5a]N[5a]O[5a])(F)2(H)	N[5a](C[5a]N[5a]N[6])(C[5a]O[5a]C){2|C<4>}	127.9060	0.000	1	127.9060	0.000	1	127.9060	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<3>,1|C<4>,1|N<2>}	128.3140	0.000	1	128.5677	0.451	4	128.5677	0.451	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<3>,1|N<3>,1|O<1>}	129.4870	0.000	1	128.5677	0.451	4	128.5677	0.451	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	128.5690	0.000	1	128.5677	0.451	4	128.5677	0.451	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|O<2>,2|C<3>}	127.9010	0.000	1	128.5677	0.451	4	128.5677	0.451	4	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<3>}	128.5230	0.000	1	129.0805	0.204	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|H<1>}	129.1480	0.000	1	129.0805	0.204	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|H<1>}	128.8260	0.000	1	129.0805	0.204	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<3>}	129.7810	0.000	1	129.0805	0.204	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<4>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	129.1025	0.384	2	129.0805	0.204	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	129.2500	0.395	2	128.7408	0.334	5	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|N<3>,2|C<3>}	128.0060	0.000	1	128.7408	0.334	5	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	128.5990	0.288	2	128.7408	0.334	5	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C){1|C<3>}	129.1360	0.000	1	129.1360	0.000	1	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]N)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]N)(C[5a]O[5a]C){1|C<3>}	129.5780	0.000	1	129.5780	0.000	1	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	129.1658	0.573	6	129.1658	0.329	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	129.5092	0.467	6	129.5092	0.218	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	129.3740	0.000	1	128.9218	0.144	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<4>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	128.8314	0.345	5	128.9218	0.144	6	129.1123	0.264	31	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C(C[5a]N[5a]O[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]O[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	128.2250	0.000	1	128.2250	0.000	1	128.2250	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:Cl-1:Cl-1:Cl-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl3)	C(C[5a]N[5a]S[5a])(Cl)3	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl3){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(Cl)3	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:Cl-1:Cl-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl2H)	C(C[5a]N[5a]S[5a])(Cl)2(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl2H){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(Cl)2(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]S[5a])(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]S[5a])(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	122.9435	0.202	2	122.9435	0.041	2	122.9435	0.041	2	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CF3)	C(C[5a]N[5a]S[5a])(F)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(F)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(CH3){2|C<4>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C){1|H<1>,3|C<4>}	124.6660	0.000	1	124.6660	0.000	1	124.6660	0.000	1	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<3>,1|O<1>}	125.1285	0.179	2	124.5574	0.291	5	124.5574	0.291	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.1767	0.153	3	124.5574	0.291	5	124.5574	0.291	5	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	124.5413	0.530	7	124.3039	0.260	15	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	124.3104	0.347	5	124.3039	0.260	15	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|N<3>}	123.7900	0.000	1	124.3039	0.260	15	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<4>,1|S<4>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|S<4>}	123.4770	0.000	1	124.3039	0.260	15	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){2|C<4>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<4>}	123.9500	0.000	1	124.3039	0.260	15	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.4340	0.000	1	124.4340	0.000	1	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|C<3>}	123.9140	0.000	1	123.8845	0.002	2	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>}	123.8550	0.000	1	123.8845	0.002	2	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C){1|C<3>}	122.1555	1.883	2	122.1555	3.546	2	124.0536	0.817	20	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CH3)	C(C[5a]N[5a]S[5a])(H)3	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(H)3	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	122.2370	0.308	3	122.2370	0.095	3	122.2370	0.095	3	124.2426	9.526	176	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	129.5430	0.651	3	129.6644	2.548	5	129.6644	2.548	5	126.7508	13.213	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|S<2>}	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<2>}	129.8465	3.038	2	129.6644	2.548	5	129.6644	2.548	5	126.7508	13.213	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:Se-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CSeHH)	C(C[5a]N[5a]O[5a])(SeC[5a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CSeHH){1|C<3>}	C(C[5a]N[5a]O[5a])(SeC[5a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	127.7770	0.000	1	127.7770	0.000	1	127.7770	0.000	1	126.7508	13.213	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CHHO)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CHHO){1|N<3>}	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<3>}	122.7980	0.000	1	122.0420	1.143	2	122.8522	1.477	4	126.7508	13.213	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CHHO)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CHHO){1|S<2>}	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|S<2>}	121.2860	0.000	1	122.0420	1.143	2	122.8522	1.477	4	126.7508	13.213	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CHHO)	C(C[5a]N[5a]S[5a])(ON)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CHHO){1|N<3>}	C(C[5a]N[5a]S[5a])(ON)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<3>}	124.2380	0.000	1	123.6625	0.662	2	122.8522	1.477	4	126.7508	13.213	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CHHO)	C(C[5a]N[5a]S[5a])(ON)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CHHO){1|O<2>}	C(C[5a]N[5a]S[5a])(ON)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|O<2>}	123.0870	0.000	1	123.6625	0.662	2	122.8522	1.477	4	126.7508	13.213	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C){3|C<3>}	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(ON)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|H<1>,1|N<2>}	C(C[5a]N[5a]2)(ON)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	123.7160	0.000	1	123.7160	0.000	1	123.7160	0.000	1	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(ON)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|H<1>,1|N<2>}	C(C[5a]N[5a]2)(ON)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN)	C(C[5a]N[5a]O[5a])(NN)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]N[5a]O[5a])(NN)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	128.0330	0.000	1	128.0330	0.000	1	128.0330	0.000	1	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]O[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]O[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	129.3857	0.502	3	129.3857	0.252	3	129.3857	0.252	3	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]N[5a]O[5a])(OC[6a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	129.4762	2.206	10	129.4762	4.868	10	129.3987	4.017	12	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	C(C[5a]N[5a]O[5a])(OH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]N[5a]O[5a])(OH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	129.0110	0.144	2	129.0110	0.021	2	129.3987	4.017	12	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS)	C(C[5a]N[5a]O[5a])(SC[5a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS){1|C<3>}	C(C[5a]N[5a]O[5a])(SC[5a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	129.0564	1.550	7	129.0564	2.403	7	129.0564	2.403	7	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	122.8313	0.728	6	122.8313	0.529	6	122.9710	0.578	7	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]S[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]S[5a])(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){3|C<3>}	123.8090	0.000	1	123.8090	0.000	1	122.9710	0.578	7	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CHHO)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CHHO){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	121.1390	0.000	1	121.4665	0.493	4	121.4665	0.493	4	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CHHO)	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CHHO){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(OC[6a])(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,2|N<2>}	121.5757	0.818	3	121.4665	0.493	4	121.4665	0.493	4	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHS)	C(C[5a]N[5a]S[5a])(SC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHS){2|C<3>}	C(C[5a]N[5a]S[5a])(SC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.1650	0.530	2	123.1650	0.281	2	123.1650	0.281	2	126.3463	13.598	40	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|C<3>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	122.1670	0.236	2	123.1217	2.762	3	123.1217	2.762	3	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|N<2>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|N<2>}	125.0310	0.000	1	123.1217	2.762	3	123.1217	2.762	3	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CC[6a]HH){1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	123.2620	0.000	1	123.1495	0.025	2	123.1495	0.025	2	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CC[6a]HH){1|Ru<8>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Ru<8>}	123.0370	0.000	1	123.1495	0.025	2	123.1495	0.025	2	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[6]-3:C[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN[6]HH)	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN[6]HH){1|C<4>}	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH){1|S<1>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<1>}	128.4110	0.000	1	128.4110	0.000	1	128.4110	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHN)	C(C[5a]N[5a]O[5a])(NOO)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHN){1|C<3>}	C(C[5a]N[5a]O[5a])(NOO)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	128.5580	0.000	1	128.5580	0.000	1	128.5580	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH)	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH){1|S<2>}	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<2>}	129.7310	0.000	1	129.7310	0.000	1	129.7310	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH)	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH){1|C<3>}	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	128.6830	0.000	1	128.6830	0.000	1	128.6830	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH)	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH){1|C<4>}	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>}	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CC[5a]HH){1|N<3>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<3>}	123.3170	0.000	1	123.3170	0.000	1	123.3170	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CC[6a]HH){1|N<3>}	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<3>}	124.7270	0.000	1	124.7270	0.000	1	124.7270	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CN[5a]HH)	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CN[5a]HH){1|S<2>}	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|S<2>}	122.0285	0.262	2	122.0285	0.069	2	122.0285	0.069	2	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CN[5a]HH){1|N<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<3>}	123.2550	0.000	1	123.2550	0.000	1	123.2550	0.000	1	124.2385	8.970	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	122.4635	1.644	2	122.4635	2.703	2	122.4635	2.703	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<3>}	122.3680	0.000	1	121.0675	3.383	2	121.0675	3.383	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	119.7670	0.000	1	121.0675	3.383	2	121.0675	3.383	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<2>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	123.6446	1.177	8	123.4999	1.401	9	123.1527	2.265	12	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	122.3420	0.000	1	123.4999	1.401	9	123.1527	2.265	12	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|C<3>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	123.3580	0.204	2	123.3580	0.041	2	123.1527	2.265	12	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|N<2>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(C[5a]O[5a]N)	119.6170	0.000	1	119.6170	0.000	1	123.1527	2.265	12	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<2>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	121.9317	0.629	8	122.0469	0.466	9	122.0469	0.466	9	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	122.9680	0.000	1	122.0469	0.466	9	122.0469	0.466	9	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	122.7100	0.212	2	122.7100	0.045	2	122.7100	0.045	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	121.9390	0.102	2	121.9390	0.010	2	122.8523	2.508	3	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC[6a]HH){1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	124.6790	0.000	1	124.6790	0.000	1	122.8523	2.508	3	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](N[5a]N[5a]Ru)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC[6a]HH){1|Ru<8>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](N[5a]N[5a]Ru)(C[5a]N[5a]C)	124.8430	0.000	1	124.8430	0.000	1	124.8430	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	123.5810	0.000	1	123.5810	0.000	1	123.5810	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	122.9250	0.376	2	122.9250	0.142	2	122.9250	0.142	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	121.8830	0.263	2	121.8830	0.069	2	121.8830	0.069	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[6]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN[6]HH)	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN[6]HH){1|C<4>}	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	123.8960	0.000	1	123.8960	0.000	1	123.8960	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]O[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]O[5a])(CNO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<4>,2|C<3>}	127.2730	0.000	1	127.2730	0.000	1	127.2730	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]N[5a]O[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<4>,2|C<3>}	127.5955	0.907	2	127.5955	0.823	2	127.5955	0.823	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]S)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|S<2>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]S)(C[5a]O[5a]C){1|C<4>}	128.9670	0.000	1	128.9670	0.000	1	128.9670	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH){1|C<3>}	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	131.1010	0.000	1	131.1010	0.000	1	131.1010	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	129.7640	0.000	1	129.7640	0.000	1	129.7640	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[5a]HH){1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.3940	0.000	1	124.3940	0.000	1	124.3940	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[5a]HH){1|C<3>,1|N<2>}	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	119.0160	0.051	2	119.0160	0.003	2	119.0160	0.003	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	122.7790	0.000	1	122.8155	0.003	2	122.8155	0.003	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|N<2>,2|C<3>}	122.8520	0.000	1	122.8155	0.003	2	122.8155	0.003	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]S[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]S[5a])(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.1613	0.428	3	124.1613	0.183	3	124.1554	0.143	5	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]S[5a])(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]S[5a])(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.1465	0.452	2	124.1465	0.204	2	124.1554	0.143	5	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CHHN)	C(C[5a]N[5a]S[5a])(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]N[5a]S[5a])(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>}	123.4145	1.836	2	123.4145	3.372	2	123.4145	3.372	2	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CN[6a]HH)	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CN[6a]HH){2|C<3>}	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	122.2110	0.000	1	122.2110	0.000	1	122.2110	0.000	1	123.3532	5.504	58	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:2:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HO)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HO){2|C<3>}	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.9870	0.000	1	124.9870	0.000	1	124.9870	0.000	1	124.9870	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H){1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	120.9535	0.179	2	120.9535	0.032	2	120.9535	0.032	2	122.5825	2.468	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:Cl-1:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN)	C(C[5a]N[5a]2)(NOO)2(Cl)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN){1|C<4>}	C(C[5a]N[5a]2)(NOO)2(Cl)	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	121.6020	0.000	1	121.6020	0.000	1	121.6020	0.000	1	122.5825	2.468	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CFNN)	C(C[5a]N[5a]2)(NOO)2(F)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CFNN){1|H<1>}	C(C[5a]N[5a]2)(NOO)2(F)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	123.9953	0.161	3	123.9953	0.026	3	123.9953	0.026	3	122.5825	2.468	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H){1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	124.1785	0.169	2	124.1785	0.029	2	124.1785	0.029	2	123.0859	0.928	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:Cl-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN)	C(C[5a]N[5a]2)(NOO)2(Cl)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN){1|C<4>}	C(C[5a]N[5a]2)(NOO)2(Cl)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	121.9240	0.000	1	121.9240	0.000	1	121.9240	0.000	1	123.0859	0.928	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:F-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CFNN)	C(C[5a]N[5a]2)(NOO)2(F)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CFNN){1|H<1>}	C(C[5a]N[5a]2)(NOO)2(F)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	122.4760	0.134	3	122.4760	0.018	3	122.4760	0.018	3	123.0859	0.928	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]S[5a])(NC[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HN){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]S[5a])(NC[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.8920	0.000	1	123.8920	0.000	1	123.8920	0.000	1	123.0859	0.928	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:2:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O)	C(C[5a]N[5a]S[5a])2(C[6a]C[6a]2)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	C(C[5a]N[5a]S[5a])2(C[6a]C[6a]2)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.0760	1.919	2	124.0760	3.683	2	124.0760	3.683	2	124.0760	3.683	2	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CN3){1|B<4>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|B<4>}	125.5450	1.052	2	124.9450	1.634	3	124.9450	1.634	3	124.9450	1.634	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CN3){1|H<1>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	123.7450	0.000	1	124.9450	1.634	3	124.9450	1.634	3	124.9450	1.634	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,1|N<3>}	120.5940	0.000	1	120.5940	0.000	1	122.1377	1.976	3	122.2443	3.285	11	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	123.3440	0.000	1	123.3440	0.000	1	122.1377	1.976	3	122.2443	3.285	11	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)2{1|H<1>}	122.4750	0.000	1	122.4750	0.000	1	122.1377	1.976	3	122.2443	3.285	11	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	121.7285	2.230	2	121.4483	2.721	3	121.4040	2.008	6	122.2443	3.285	11	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	120.8880	0.000	1	121.4483	2.721	3	121.4040	2.008	6	122.2443	3.285	11	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	C[5a](N[5a]N[5a])2(CN3){1|B<4>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	120.5645	0.892	2	120.5645	0.795	2	121.4040	2.008	6	122.2443	3.285	11	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CN3)	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CN3){1|H<1>}	C(C[5a]N[5a]2)(NOO)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	122.9500	0.000	1	122.9500	0.000	1	121.4040	2.008	6	122.2443	3.285	11	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3)	C(C[5a]N[5a]O[5a])(NOO)3	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3){1|C<3>}	C(C[5a]N[5a]O[5a])(NOO)3	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){2|N<2>}	124.9250	0.458	2	124.9250	0.210	2	124.9250	0.210	2	122.2443	3.285	11	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:3:4:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:C-4:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN){2|C<3>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C){1|H<1>,2|C<3>}	127.9800	0.000	1	127.9800	0.000	1	127.9800	0.000	1	127.9800	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH){1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	122.0710	3.981	2	122.0710	15.848	2	122.0710	15.848	2	122.0710	15.848	2	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH){1|C<3>,1|S<2>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C){2|C<3>}	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1	123.4683	8.366	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH){1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	122.6105	4.004	2	122.6105	16.035	2	122.6105	16.035	2	123.4683	8.366	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH){1|C<3>,1|S<2>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	123.1740	0.000	1	123.1740	0.000	1	123.1740	0.000	1	123.4683	8.366	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|N<3>}	127.5860	0.000	1	127.5860	0.000	1	127.5860	0.000	1	123.4683	8.366	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]CH)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]CH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	124.0050	0.000	1	124.0050	0.000	1	124.0050	0.000	1	123.4683	8.366	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:2:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:O-2:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CO){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.8770	0.000	1	124.8770	0.000	1	124.8770	0.000	1	124.8770	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:3:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:N-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CN)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CN){2|C<3>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.2670	0.000	1	124.2670	0.000	1	124.2670	0.000	1	124.2670	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:3:4:4:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CC)	C(C[5a]N[5a]S[5a])2(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	C(C[5a]N[5a]S[5a])2(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.0405	0.219	4	123.0405	0.048	4	123.0405	0.048	4	123.0405	0.048	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CCHH){1|Pt<4>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Pt<4>}	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:	C[5a](N[5a]C[5a])(N[5a]S[5a])(CCHH)	C(C[5a]N[5a]2)(CCHO)(H)2	N[5a](C[5a]N[5a]C)(S[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]S[5a])(CCHH){1|N<3>}	C(C[5a]N[5a]2)(CCHO)(H)2	N[5a](C[5a]N[5a]C)(S[5a]C[5a]){1|N<3>}	120.5925	0.637	6	120.5925	0.406	6	120.5925	0.406	6	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CN[6]HH){1|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	123.8077	2.444	4	123.8077	5.972	4	123.8077	5.972	4	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	129.4645	1.261	2	129.4598	0.558	5	129.4598	0.558	5	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<4>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	129.4567	0.567	3	129.4598	0.558	5	129.4598	0.558	5	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS)	C(C[5a]N[5a]O[5a])(SCOO)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS){1|C<4>}	C(C[5a]N[5a]O[5a])(SCOO)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	128.9540	0.000	1	128.9540	0.000	1	128.9945	0.003	2	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS)	C(C[5a]N[5a]O[5a])(SNOO)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS){1|C<4>}	C(C[5a]N[5a]O[5a])(SNOO)(H)2	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	129.0350	0.000	1	129.0350	0.000	1	128.9945	0.003	2	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH)	C(C[5a]N[5a]S[5a])(CCHH)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH){1|N<2>}	C(C[5a]N[5a]S[5a])(CCHH)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>}	122.1520	0.000	1	123.2140	2.256	2	123.4787	5.426	7	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH)	C(C[5a]N[5a]S[5a])(CCHH)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH){1|N<3>}	C(C[5a]N[5a]S[5a])(CCHH)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<3>}	124.2760	0.000	1	123.2140	2.256	2	123.4787	5.426	7	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH)	C(C[5a]N[5a]S[5a])(CH3)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH){1|N<2>}	C(C[5a]N[5a]S[5a])(CH3)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>}	120.9295	2.418	2	123.5846	7.527	5	123.4787	5.426	7	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH)	C(C[5a]N[5a]S[5a])(CH3)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCHH){1|N<3>}	C(C[5a]N[5a]S[5a])(CH3)(H)2	N[5a](C[5a]S[5a]C)(N[5a]C[5a]){1|N<3>}	125.3547	0.618	3	123.5846	7.527	5	123.4787	5.426	7	124.4967	13.301	25	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	121.4750	0.000	1	121.4750	0.000	1	121.7695	0.173	2	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|Ir<6>,1|C<3>}	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	122.0640	0.000	1	122.0640	0.000	1	121.7695	0.173	2	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|Ir<6>,1|C<3>}	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C){1|C<3>}	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	122.8930	0.000	1	122.8930	0.000	1	120.6404	3.402	8	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pd<4>,1|C<3>,1|N<3>}	123.7620	0.000	1	123.7620	0.000	1	120.6404	3.402	8	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]S[5a])(CCHH)	C(C[5a]N[5a]2)(CCHO)(H)2	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(CCHH){1|N<3>}	C(C[5a]N[5a]2)(CCHO)(H)2	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	119.7447	0.914	6	119.7447	0.836	6	120.6404	3.402	8	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	122.6980	0.000	1	122.6980	0.000	1	122.6980	0.000	1	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a]Pd)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|Pd<4>,1|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a]Pd)(C[5a]N[5a]C){1|C<3>}	121.9740	0.000	1	121.9740	0.000	1	122.7285	1.139	2	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](N[5a]N[5a]Pt)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CCHH){1|Pt<4>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](N[5a]N[5a]Pt)(C[5a]N[5a]C)	123.4830	0.000	1	123.4830	0.000	1	122.7285	1.139	2	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a])2(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CN[6]HH){1|H<1>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	123.6333	2.811	4	123.6333	7.902	4	123.6333	7.902	4	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]O[5a])(CF3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]O[5a])(CF3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	130.1830	0.000	1	130.1830	0.000	1	130.1830	0.000	1	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH){2|C<3>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	126.8608	1.613	6	126.8608	2.603	6	127.5564	3.518	8	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]N[5a]O[5a])(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	129.6430	0.040	2	129.6430	0.002	2	127.5564	3.518	8	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP)	C(C[5a]N[5a]O[5a])(PO3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP){2|C<3>}	C(C[5a]N[5a]O[5a])(PO3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	128.4890	0.000	1	128.4890	0.000	1	128.4890	0.000	1	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:Br-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CBrCH)	C(C[5a]N[5a]S[5a])(CC[6a]BrH)(Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CBrCH){2|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]BrH)(Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.3190	0.000	1	123.3190	0.000	1	123.3190	0.000	1	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]S[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]S[5a])(CC3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.9500	0.000	1	124.9500	0.000	1	124.2322	1.277	6	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]S[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]S[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){3|C<3>}	125.1760	0.000	1	125.1760	0.000	1	124.2322	1.277	6	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]S[5a])(CCHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.3970	1.043	3	123.3970	1.088	3	124.2322	1.277	6	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]S[5a])(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]S[5a])(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	125.0760	0.000	1	125.0760	0.000	1	124.2322	1.277	6	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHH)	C(C[5a]N[5a]S[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]N[5a]S[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	124.2280	0.000	1	124.2280	0.000	1	123.9800	0.123	2	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHH)	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|C<4>,2|C<3>}	123.7320	0.000	1	123.7320	0.000	1	123.9800	0.123	2	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCHH)	C(C[5a]N[5a]S[5a])(CCCH)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(CCCH)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	122.8525	0.685	2	122.8525	0.469	2	122.9540	0.266	3	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCHH)	C(C[5a]N[5a]S[5a])(CH3)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(CH3)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|N<2>,2|C<3>}	123.1570	0.000	1	123.1570	0.000	1	122.9540	0.266	3	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]S[5a])(CH3)(H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(CH3)(H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<2>,1|O<1>}	122.9150	0.000	1	122.9150	0.000	1	122.9150	0.000	1	123.8682	8.793	42	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:2:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]S[5a])(CF3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]S[5a])(CF3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<3>}	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	132.4760	0.000	1	132.4760	0.000	1	132.4760	0.000	1	129.5052	2.518	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|N<3>}	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|N<3>}	129.5260	0.000	1	129.5260	0.000	1	128.9110	0.500	5	129.5052	2.518	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|S<2>}	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<2>}	128.2660	0.359	2	128.2660	0.129	2	128.9110	0.500	5	129.5052	2.518	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|S<2>}	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|S<2>}	129.2485	0.658	2	129.2485	0.433	2	128.9110	0.500	5	129.5052	2.518	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN)	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	130.4060	0.000	1	130.4060	0.000	1	130.4060	0.000	1	123.4133	2.947	39	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:C-3:F-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCF)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(COO)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCF){2|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]CH)(COO)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	122.9800	1.302	2	122.9800	1.696	2	122.9800	1.696	2	123.4133	2.947	39	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(CNO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]CH)(CNO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.1095	1.050	2	123.1095	1.103	2	123.1095	1.103	2	123.4133	2.947	39	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN)	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN){1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	123.6675	1.796	8	123.6675	3.227	8	123.2510	1.783	34	123.4133	2.947	39	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN)	C(C[5a]N[5a]S[5a])(CC[6a]HH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN){1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(CC[6a]HH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	123.0291	1.161	24	123.0291	1.348	24	123.2510	1.783	34	123.4133	2.947	39	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:3:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN)	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN){1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	124.2480	0.820	2	124.2480	0.673	2	123.2510	1.783	34	123.4133	2.947	39	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	C(C[5a]N[5a]O[5a])(CH3)2(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<3>}	C(C[5a]N[5a]O[5a])(CH3)2(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	130.5715	0.043	2	130.1593	0.511	3	130.1593	0.511	3	130.1593	0.511	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	C(C[5a]N[5a]O[5a])(CH3)2(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<4>}	C(C[5a]N[5a]O[5a])(CH3)2(H)	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<4>}	129.3350	0.000	1	130.1593	0.511	3	130.1593	0.511	3	130.1593	0.511	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|Pd<4>,1|C<3>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pd<4>,1|C<3>,1|N<3>}	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](N[5a]C[5a]Pd)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|Pd<4>,1|C<3>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](N[5a]C[5a]Pd)(C[5a]N[5a]C){1|C<3>}	122.1650	0.000	1	122.1650	0.000	1	122.1650	0.000	1	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	129.1120	0.000	1	129.1120	0.000	1	128.3905	1.041	2	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	127.6690	0.000	1	127.6690	0.000	1	128.3905	1.041	2	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH)	C(C[5a]N[5a]O[5a])(CCHH)2(H)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH){1|C<4>}	C(C[5a]N[5a]O[5a])(CCHH)2(H)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	130.6960	0.000	1	130.6960	0.000	1	130.6960	0.000	1	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH)	C(C[5a]N[5a]O[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH){2|C<3>}	C(C[5a]N[5a]O[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	124.2800	0.000	1	124.2800	0.000	1	125.5560	3.256	2	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH){2|C<3>}	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	126.8320	0.000	1	126.8320	0.000	1	125.5560	3.256	2	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	122.8820	0.000	1	122.8820	0.000	1	122.8880	0.000	2	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]S[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C){2|C<3>}	122.8940	0.000	1	122.8940	0.000	1	122.8880	0.000	2	125.4474	10.222	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:N-3:	C[5a]-3:O[5a]-2:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CCCN)	C(C[5a]N[5a]2)(CH3)2(NCH)	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CCCN){1|C<3>}	C(C[5a]N[5a]2)(CH3)2(NCH)	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	123.5360	0.000	1	123.5360	0.000	1	123.5360	0.000	1	123.5360	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:N-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]O[5a])(CCCN)	C(C[5a]N[5a]2)(CH3)2(NCH)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CCCN){1|C<3>}	C(C[5a]N[5a]2)(CH3)2(NCH)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	121.4990	0.000	1	121.4990	0.000	1	121.4990	0.000	1	123.7797	2.383	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:3:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC3)	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC3){2|C<3>}	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	124.5400	0.325	3	124.5400	0.106	3	124.5400	0.106	3	123.7797	2.383	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CC3){1|Mo<8>}	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Mo<8>}	124.5450	0.000	1	124.2590	0.164	2	124.2590	0.164	2	127.0055	10.112	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])2(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a])2(CC3){1|Sn<5>}	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Sn<5>}	123.9730	0.000	1	124.2590	0.164	2	124.2590	0.164	2	127.0055	10.112	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:2:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	C(C[5a]N[5a]O[5a])(CH3)3	N[5a](C[5a]O[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>}	C(C[5a]N[5a]O[5a])(CH3)3	N[5a](C[5a]O[5a]C)(N[5a]C[5a]){1|C<3>}	129.7520	0.023	2	129.7520	0.001	2	129.7520	0.001	2	127.0055	10.112	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)2{1|H<1>}	122.9760	0.000	1	122.9760	0.000	1	123.1720	0.725	5	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Ir<6>,1|C<3>}	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	123.4457	1.060	3	123.2210	0.951	4	123.1720	0.725	5	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Pt<4>,1|C<3>}	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<4>,1|C<3>,1|N<3>}	122.5470	0.000	1	123.2210	0.951	4	123.1720	0.725	5	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>}	123.2260	0.000	1	123.2260	0.000	1	123.2260	0.000	1	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Ir<6>,1|C<3>}	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]C[5a]Ir)(C[5a]N[5a]C){1|C<3>}	121.8430	0.921	3	121.8430	0.848	3	122.7558	1.568	6	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Pt<4>,1|C<3>}	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]C[5a]Pt)(C[5a]N[5a]C){1|C<3>}	122.8190	0.000	1	122.8190	0.000	1	122.7558	1.568	6	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]N[5a]Mo)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC3){1|Mo<8>}	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]N[5a]Mo)(C[5a]N[5a]C)	123.9160	0.000	1	123.9160	0.000	1	122.7558	1.568	6	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])2(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]N[5a]Sn)(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC3){1|Sn<5>}	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]N[5a]Sn)(C[5a]N[5a]C)	124.2710	0.000	1	124.2710	0.000	1	122.7558	1.568	6	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	C(C[5a]N[5a]O[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>,1|O<1>}	C(C[5a]N[5a]O[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	128.5830	0.170	2	128.5830	0.029	2	128.5830	0.029	2	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC3)	C(C[5a]N[5a]S[5a])(CH3)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC3){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(CH3)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C){2|C<3>}	124.5250	0.000	1	124.5250	0.000	1	124.5250	0.000	1	123.8208	4.706	15	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	4:3:1:1:	3:3:	N[5a]-2:O[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH){1|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	129.7935	0.832	4	129.7935	0.692	4	129.7935	0.692	4	128.6368	7.209	5	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	4:3:1:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]HH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]HH){2|H<1>}	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>}	124.0100	0.000	1	124.0100	0.000	1	124.0100	0.000	1	128.6368	7.209	5	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	2:2:4:	4:3:4:1:	3:3:	N[5a]-2:S[5a]-2:C-4:	C[6]-4:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]CH){1|C<3>,1|H<1>}	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]O[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]O[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6]){1|C<4>,1|N<3>}	119.2405	0.329	2	119.2405	0.108	2	119.2405	0.108	2	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CClHH)	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CClHH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){2|C<3>}	118.6040	0.000	1	118.6040	0.000	1	118.6040	0.000	1	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a]){2|C<3>}	122.6673	0.171	3	122.6673	0.029	3	122.6673	0.029	3	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|C<3>,1|N<2>}	120.7310	0.000	1	119.6000	1.211	4	119.6000	1.211	4	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){2|C<3>}	120.3570	0.000	1	119.6000	1.211	4	119.6000	1.211	4	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CH3){1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|C<3>,1|N<2>}	118.6560	0.000	2	119.6000	1.211	4	119.6000	1.211	4	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CClHH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CClHH){1|C<3>}	C(C[5a]C[5a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	116.9910	0.000	1	116.9910	0.000	1	116.9910	0.000	1	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	119.9280	0.000	1	119.9280	0.000	1	120.9895	0.341	8	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	120.8137	0.366	3	121.1411	0.184	7	120.9895	0.341	8	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3){1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.3868	0.300	4	121.1411	0.184	7	120.9895	0.341	8	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH){1|C<3>}	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.3735	0.408	2	121.3735	0.166	2	121.3735	0.166	2	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CFFH){1|C<4>}	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	120.1380	0.000	1	120.1380	0.000	1	120.1380	0.000	1	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]S[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(CH3){1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]S[5a]){1|C<3>}	119.9370	0.000	1	119.9370	0.000	1	119.5694	3.925	5	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	122.7310	0.000	1	122.7310	0.000	1	119.5694	3.925	5	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]S[5a])	C[5a](C[5a]S[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]S[5a]){1|C<3>}	118.3930	0.841	3	118.3930	0.708	3	119.5694	3.925	5	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	119.9090	0.000	1	119.7535	1.321	31	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|C<4>}	118.1813	1.039	6	119.7535	1.321	31	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<4>}	119.7190	0.460	3	119.7535	1.321	31	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	119.7190	0.000	1	119.7535	1.321	31	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<2>}	120.2797	0.844	11	119.7535	1.321	31	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<2>,1|N<3>}	120.7390	0.000	1	119.7535	1.321	31	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|N<3>}	118.9360	0.000	1	119.7535	1.321	31	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	120.2474	0.952	7	119.7535	1.321	31	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|C<4>}	119.6110	0.000	1	119.6110	0.000	1	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	120.6242	0.239	5	120.4430	0.327	11	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	120.2920	0.740	6	120.4430	0.327	11	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<2>}	118.4160	0.441	2	119.7455	0.824	17	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	119.9228	0.801	15	119.7455	0.824	17	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]P)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]P)(N[5a]O[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|P<4>}	118.3200	0.000	1	118.3200	0.000	1	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]O[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|C<3>}	122.0960	0.000	1	122.0960	0.000	1	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|N<2>}	123.6340	0.000	1	122.4430	1.386	3	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|N<3>}	121.8475	0.803	2	122.4430	1.386	3	120.0040	1.395	65	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,5a]N[5a])(H)3	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(H)3	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	126.9230	0.013	2	126.9230	0.000	2	126.9230	0.000	2	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3)	C(C[5a]N[5a,6]N[5a])(F)3	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>}	C(C[5a]N[5a,6]N[5a])(F)3	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|C<4>,1|N<2>}	125.5950	0.000	1	123.9960	5.114	2	123.9960	5.114	2	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3)	C(C[5a]N[5a,6]N[5a])(F)3	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,2|C<4>}	C(C[5a]N[5a,6]N[5a])(F)3	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|C<4>,1|N<3>}	122.3970	0.000	1	123.9960	5.114	2	123.9960	5.114	2	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6]N[5a])(H)3	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CH3){3|C<3>}	C(C[5a]N[5a,6]N[5a])(H)3	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){2|C<3>}	122.7750	0.000	1	122.7750	0.000	1	126.1720	8.733	3	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6]N[5a])(H)3	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(H)3	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	127.8705	0.395	2	127.8705	0.156	2	126.1720	8.733	3	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH)	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH){2|C<3>}	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	126.2430	0.146	2	126.2430	0.021	2	126.2430	0.021	2	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a,6a]N[5a])(F)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3){3|C<3>}	C(C[5a]N[5a,6a]N[5a])(F)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.6180	0.000	1	120.6180	0.000	1	123.6160	17.976	2	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3)	C(C[5a]N[5a,6a]N[5a])(F)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3){1|C<3>,1|N<2>}	C(C[5a]N[5a,6a]N[5a])(F)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|N<2>}	126.6140	0.000	1	126.6140	0.000	1	123.6160	17.976	2	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	126.5310	0.000	1	126.5310	0.000	1	125.2794	5.547	7	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){3|C<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	122.8133	0.278	3	122.8133	0.077	3	125.2794	5.547	7	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	126.9900	0.197	2	126.9900	0.039	2	125.2794	5.547	7	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]N[5a,6a]N[5a])(H)3	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	128.0050	0.000	1	128.0050	0.000	1	125.2794	5.547	7	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<4>}	126.1840	0.477	2	126.1840	0.227	2	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	123.3890	0.000	1	123.3890	0.000	1	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	126.7007	0.948	3	126.3125	0.707	6	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	125.9243	0.646	3	126.3125	0.707	6	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	126.0380	0.853	2	126.5620	0.222	10	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>}	126.7260	0.177	2	126.5620	0.222	10	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	126.6820	0.332	6	126.5620	0.222	10	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	127.6485	0.811	2	127.6485	0.658	2	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	126.8085	0.738	2	126.8085	0.544	2	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Ir)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Ir)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Ir<8>}	123.9843	0.145	3	123.9843	0.021	3	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|N<2>}	127.5345	0.032	2	127.6177	0.021	3	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|N<3>}	127.7840	0.000	1	127.6177	0.021	3	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Rh)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Rh)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Rh<8>}	123.8220	0.000	2	123.8220	0.000	2	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Si[5])(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Si[5])(N[5a]N[5a])(CH3){2|N<2>,3|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Si<6>}	122.9360	0.000	1	122.9360	0.000	1	126.0485	2.041	32	122.0849	9.780	143	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5,5a]N[5a])(H)3	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]N[5a])(CH3){1|C<3>,4|C<4>}	C(C[5a]C[5,5a]N[5a])(H)3	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]C){2|C<4>}	120.6600	0.000	1	120.6600	0.000	1	120.6600	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5,5a]N[5a])(H)3	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3){1|H<1>,4|C<3>}	C(C[5a]C[5,5a]N[5a])(H)3	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,3|C<3>}	120.8600	0.000	1	120.2850	0.661	2	120.2850	0.661	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5,5a]N[5a])(H)3	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[5a]C[5,5a]N[5a])(H)3	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,1|O<2>,2|C<3>}	119.7100	0.000	1	120.2850	0.661	2	120.2850	0.661	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|C<2>,1|C<4>,1|N<2>,1|S<2>}	C(C[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C){1|C<3>,1|N<2>}	122.1280	0.000	1	120.9827	1.868	4	120.9827	1.868	4	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C(C[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C){1|C<3>,1|N<2>}	120.6010	1.388	3	120.9827	1.868	4	120.9827	1.868	4	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,5a]N[5a])(H)3	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,5a]N[5a])(H)3	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C){1|N<3>,3|C<3>}	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6]N[5a])(F)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5a,6]N[5a])(F)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<3>,1|C<4>}	119.4040	0.000	1	119.4040	0.000	1	119.4040	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<3>,1|C<4>}	119.3570	0.000	1	119.3570	0.000	1	119.3570	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<4>,1|O<2>}	122.0865	2.893	2	122.0865	8.368	2	121.4078	2.045	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<4>,1|N<2>}	121.2900	0.000	1	121.1070	0.228	3	121.4078	2.045	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<3>,1|C<4>}	121.4660	0.000	1	121.1070	0.228	3	121.4078	2.045	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<4>,1|N<3>}	120.5650	0.000	1	121.1070	0.228	3	121.4078	2.045	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6]C[5a,6]S[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]S[6])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|N<2>,1|S<2>}	120.9530	0.000	1	120.9530	0.000	1	121.4078	2.045	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3){1|O<2>,4|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	120.4662	0.300	6	120.4662	0.090	6	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	119.4266	0.899	7	118.8226	2.075	11	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|S<2>,2|C<3>}	119.9910	0.000	1	118.8226	2.075	11	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	117.0240	1.068	3	118.8226	2.075	11	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<2>,2|C<3>}	120.2450	0.000	1	120.3440	0.672	31	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<2>,2|C<3>}	120.5635	0.122	2	120.3440	0.672	31	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,2|H<1>,2|N<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	120.3817	0.511	4	120.3440	0.672	31	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	119.9820	1.311	7	120.3440	0.672	31	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	120.2145	0.880	6	120.3440	0.672	31	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	120.7650	0.000	1	120.3440	0.672	31	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>,2|O<2>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	120.2490	0.000	1	120.3440	0.672	31	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	120.6211	0.631	9	120.3440	0.672	31	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6]N[5a])(H)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>}	121.9700	0.000	1	121.9700	0.000	1	120.0506	1.361	49	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	120.2380	0.467	2	120.2380	0.218	2	120.2380	0.218	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|B<4>,1|F<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(F)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B){2|C<3>}	116.0000	0.837	6	116.0000	0.700	6	117.2895	2.751	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6a]N[5a])(F)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	119.1025	1.264	2	119.1025	1.597	2	117.2895	2.751	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|F<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(F)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	118.4700	0.000	1	118.6597	0.115	3	117.2895	2.751	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a,6a]N[5a])(F)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(F)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	118.7545	0.419	2	118.6597	0.115	3	117.2895	2.751	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	116.1220	2.012	2	116.1220	4.050	2	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	121.3270	0.000	1	121.0057	0.495	3	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	120.1990	0.000	1	121.0057	0.495	3	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	121.4910	0.000	1	121.0057	0.495	3	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	121.7970	0.000	1	120.9477	1.255	8	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	121.5953	0.371	3	120.9477	1.255	8	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	119.6700	0.524	3	120.9477	1.255	8	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	121.9890	0.000	1	120.9477	1.255	8	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<2>,1|S<2>}	121.2810	0.000	1	121.2810	0.000	1	120.2946	4.196	14	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	118.3610	0.000	1	118.3610	0.000	1	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	120.0010	0.000	1	120.6885	0.945	2	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	121.3760	0.000	1	120.6885	0.945	2	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	118.7820	0.000	1	118.0890	0.960	2	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	117.3960	0.000	1	118.0890	0.960	2	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	119.3060	0.492	3	119.2802	0.164	4	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,3|C<3>}	119.2030	0.000	1	119.2802	0.164	4	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){4|C<3>}	121.7830	0.000	1	121.7830	0.000	1	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	118.9732	0.581	5	119.9419	1.002	76	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	119.7380	0.187	2	119.9419	1.002	76	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	121.2816	0.643	15	119.9419	1.002	76	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	119.5772	0.686	49	119.9419	1.002	76	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,3|C<3>}	118.6130	0.000	1	119.9419	1.002	76	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	121.0307	0.454	4	119.9419	1.002	76	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){2|C<3>,2|N<2>}	121.6720	0.356	2	121.6720	0.127	2	119.9289	1.141	88	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH){1|N<3>}	C(C[5a]C[5a]N[5a])(Cl)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	120.1140	0.017	2	120.1140	0.000	2	120.1140	0.000	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	119.0630	0.568	3	119.0630	0.323	3	118.7959	1.467	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	120.4465	0.429	2	120.4465	0.184	2	118.7959	1.467	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	118.3560	0.000	1	118.3560	0.000	1	118.7959	1.467	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	117.5750	0.537	3	117.5750	0.289	3	118.7959	1.467	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Br<1>,1|C<4>}	119.9827	0.085	3	119.9827	0.007	3	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.4750	0.000	1	118.6321	0.614	8	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	119.2343	0.547	3	118.6321	0.614	8	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|S<2>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|S<2>}	117.7980	0.160	2	118.6321	0.614	8	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|Cl<1>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	118.1415	0.062	2	118.6321	0.614	8	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	119.1395	0.209	2	119.3192	0.136	8	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	119.3792	0.405	6	119.3192	0.136	8	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){1|C<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	118.2900	0.000	1	118.2900	0.000	1	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	119.9447	1.011	3	119.7100	0.802	5	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	119.3580	0.865	2	119.7100	0.802	5	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.6930	0.822	2	119.6930	0.675	2	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	119.6875	0.343	4	119.3447	0.462	6	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	118.6590	0.740	2	119.3447	0.462	6	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	118.9657	0.636	4	118.9657	0.404	4	119.2356	0.559	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CF3){1|B<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>}	118.8680	0.000	2	118.8680	0.000	2	118.8680	0.000	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	115.6020	0.000	1	116.9185	3.466	2	118.2230	1.364	8	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){4|C<3>}	118.2350	0.000	1	116.9185	3.466	2	118.2230	1.364	8	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3){1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	118.0330	0.000	1	118.0330	0.000	1	118.2230	1.364	8	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	118.4220	0.161	2	118.7828	0.269	5	118.2230	1.364	8	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	119.0233	0.555	3	118.7828	0.269	5	118.2230	1.364	8	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	117.4930	0.000	1	118.1187	0.438	3	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	118.0520	0.000	1	118.1187	0.438	3	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	118.8110	0.000	1	118.1187	0.438	3	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){4|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	118.9030	0.000	1	118.9030	0.000	1	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<3>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|B<3>,1|H<1>,2|C<3>}	119.3620	0.000	1	119.1448	0.523	26	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.2120	0.000	1	119.1448	0.523	26	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	119.3150	0.000	1	119.1448	0.523	26	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	119.3190	1.776	2	119.1448	0.523	26	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	119.1065	0.698	21	119.1448	0.523	26	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Cu<3>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<3>,1|H<1>}	118.9880	0.000	1	119.6550	0.334	3	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Cu<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<3>,1|H<1>}	119.9885	0.021	2	119.6550	0.334	3	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C){1|C<3>,1|H<1>}	119.1160	0.508	6	119.1160	0.258	6	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Os)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Os<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Os)(C[5a]C[5a]C){1|C<3>,1|H<1>}	118.3734	1.003	8	118.3734	1.005	8	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pd<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<3>,1|H<1>}	119.3617	0.450	3	119.3617	0.203	3	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<3>,1|H<1>}	119.3001	0.926	15	119.2943	0.801	16	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<4>,1|H<1>}	119.2070	0.000	1	119.2943	0.801	16	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Ru<9>,1|C<4>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C){1|C<4>,1|H<1>}	119.9830	0.641	2	119.9830	0.410	2	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]N[5a]Mn)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|Mn<6>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]N[5a]Mn)(C[5a]C[5a]C){1|C<3>}	120.5780	0.346	2	120.5780	0.120	2	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]N[5a]Mo)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|Mo<8>}	C(C[5a]C[5a]N[5a])(F)3	N[5a](N[5a]N[5a]Mo)(C[5a]C[5a]C){1|C<3>}	118.9960	0.000	1	118.9960	0.000	1	119.1350	0.724	71	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CFFH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	118.7590	0.000	1	118.7590	0.000	1	119.7960	2.151	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CFFH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	120.8330	0.000	1	120.8330	0.000	1	119.7960	2.151	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CFFH)	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CFFH){2|C<3>}	C(C[5a]C[5a]N[5a])(F)2(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>}	117.9020	0.000	1	117.9020	0.000	1	117.9020	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C){3|C<3>}	119.5287	0.170	3	119.5287	0.029	3	119.7285	0.179	4	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	120.3280	0.000	1	120.3280	0.000	1	119.7285	0.179	4	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	120.2930	0.000	1	120.2930	0.000	1	121.2235	1.732	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	122.1540	0.000	1	122.1540	0.000	1	121.2235	1.732	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	121.0600	0.000	1	119.1595	1.629	4	120.4721	3.327	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	118.5260	0.188	3	119.1595	1.629	4	120.4721	3.327	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	120.7110	0.000	1	120.7110	0.000	1	120.4721	3.327	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	120.5540	0.000	1	120.8930	0.097	3	120.4721	3.327	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	121.0625	0.148	2	120.8930	0.097	3	120.4721	3.327	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	124.2210	0.000	1	124.2210	0.000	1	120.4721	3.327	9	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	121.0330	0.000	1	121.0330	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	119.2920	0.000	1	119.2920	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){2|C<3>}	120.4135	0.490	2	120.4135	0.240	2	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	115.3370	0.000	1	115.3370	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C){3|C<3>}	116.3740	0.000	1	116.3740	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	120.3130	0.000	1	120.3130	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	116.6412	0.403	6	116.6412	0.162	6	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	116.9280	0.000	1	116.9280	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>}	121.3332	0.441	5	121.6089	0.377	7	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|Cu<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|Cu<4>,1|C<4>}	122.2980	0.393	2	121.6089	0.377	7	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	121.2510	0.139	2	121.2510	0.019	2	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|P<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<3>,1|C<4>}	121.9930	0.000	1	121.9930	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	110.8890	0.000	1	120.0291	9.295	11	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	120.9431	0.343	10	120.0291	9.295	11	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<4>}	121.2830	0.000	1	121.2830	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|B<4>,1|H<1>}	121.8304	0.703	11	121.8304	0.494	11	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|P<4>,2|C<3>}	118.7020	0.000	1	118.7020	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	121.2690	0.000	1	121.2690	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	121.5585	0.644	2	121.5585	0.415	2	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|Br<1>}	119.8050	0.000	1	119.8050	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	118.4290	0.000	1	118.1765	0.128	2	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<4>}	117.9240	0.000	1	118.1765	0.128	2	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<3>}	118.3878	0.735	5	118.3878	0.540	5	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	117.4039	0.993	9	117.5720	0.954	12	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<4>}	118.0763	0.891	3	117.5720	0.954	12	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]P)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|P<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]P){1|C<4>}	118.7827	0.298	3	118.7827	0.089	3	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	118.7900	0.000	1	118.7900	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	118.4365	0.418	8	118.4365	0.175	8	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>}	115.3240	0.000	1	115.3240	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	118.8690	0.000	1	118.8690	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<4>}	117.2720	0.000	1	117.8857	0.346	3	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){2|C<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<4>}	118.1925	0.357	2	117.8857	0.346	3	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	119.1900	0.000	1	119.1900	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<4>}	118.4115	0.127	2	118.3020	0.022	4	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<4>}	118.1925	0.032	2	118.3020	0.022	4	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	118.8127	1.147	3	118.8127	1.315	3	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	118.7850	0.688	4	118.6468	0.337	14	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	118.5915	0.563	10	118.6468	0.337	14	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	118.6880	0.000	1	118.6880	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3){1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|N<2>}	122.5245	0.176	2	122.5245	0.031	2	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3){1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<4>,2|N<2>}	119.5030	0.000	1	119.5030	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|P<4>,2|C<3>}	119.0980	0.000	1	119.0980	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|S<4>}	116.8240	0.000	1	116.8240	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|S<4>,2|C<3>}	119.4220	0.000	1	119.4220	0.000	1	119.2175	3.951	117	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	120.6925	0.415	19	120.6925	0.172	19	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	121.0395	0.296	2	120.9899	0.419	7	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	120.9700	0.778	5	120.9899	0.419	7	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>}	121.9510	0.000	1	121.9510	0.000	1	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	120.7737	0.255	3	120.0100	1.103	26	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	119.1040	0.000	1	120.0100	1.103	26	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.5120	0.000	1	120.0100	1.103	26	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	121.1225	0.489	2	120.0100	1.103	26	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	119.6888	1.235	13	120.0100	1.103	26	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|O<2>}	120.1030	0.000	2	120.0100	1.103	26	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	119.3060	0.000	1	120.0100	1.103	26	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	120.5373	0.680	3	120.0100	1.103	26	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	120.5420	0.000	1	120.4001	0.330	31	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	120.3954	0.583	30	120.4001	0.330	31	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Fe<10>,1|C<3>,3|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	118.9860	0.000	1	119.0320	0.270	4	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Fe<10>,4|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	119.0473	0.635	3	119.0320	0.270	4	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	121.0590	0.000	1	121.0590	0.000	1	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	118.3950	0.076	2	118.3950	0.006	2	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	118.9428	0.485	4	118.9428	0.235	4	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Cl<1>,1|C<4>}	121.4490	0.000	1	121.4490	0.000	1	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	121.5490	0.209	3	121.5835	0.034	4	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<4>}	121.6870	0.000	1	121.5835	0.034	4	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>}	121.3170	0.000	1	121.3170	0.000	1	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]2){1|N<2>,1|O<2>,2|H<1>}	120.9060	0.000	1	120.9060	0.000	1	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<3>,1|H<1>}	121.3110	0.000	1	120.3116	0.592	30	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	120.1995	0.763	26	120.3116	0.592	30	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	120.9500	0.201	3	120.3116	0.592	30	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	120.4990	0.000	1	120.3694	0.469	140	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.5533	0.880	34	120.3694	0.469	140	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	120.3167	0.617	3	120.3694	0.469	140	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	119.6933	0.071	3	120.3694	0.469	140	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	120.9940	0.331	2	120.3694	0.469	140	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<2>}	119.6250	0.000	1	120.3694	0.469	140	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	120.6560	0.000	1	120.3694	0.469	140	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.3169	0.606	95	120.3694	0.469	140	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	120.8545	0.602	4	120.3381	1.511	14	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	120.1315	1.377	10	120.3381	1.511	14	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	120.0309	0.838	7	120.1124	0.699	10	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	120.3027	0.982	3	120.1124	0.699	10	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|S<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S){1|C<4>,1|H<1>}	119.8130	0.870	2	119.8130	0.756	2	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|W<6>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W){1|C<4>,1|H<1>}	119.6170	0.223	2	119.6170	0.050	2	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|N<3>}	121.2350	0.000	1	119.9472	1.484	5	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|N<2>}	119.3963	1.272	3	119.9472	1.484	5	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){2|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|N<3>}	120.3120	0.000	1	119.9472	1.484	5	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>}	121.5640	0.031	2	121.1067	0.628	3	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<3>}	120.1920	0.000	1	121.1067	0.628	3	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<3>}	122.1270	0.000	1	122.1270	0.000	1	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|N<2>,1|S<2>}	120.8010	0.000	1	120.8455	0.004	2	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|N<3>,1|S<2>}	120.8900	0.000	1	120.8455	0.004	2	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|S<2>}	121.7295	0.827	2	121.7295	0.683	2	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Se<2>,1|C<3>}	120.0680	0.000	1	120.7385	0.899	2	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Se<2>,1|C<4>}	121.4090	0.000	1	120.7385	0.899	2	120.3557	0.693	315	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|N<2>}	119.7385	0.241	2	119.7385	0.058	2	119.3627	0.453	3	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	118.6110	0.000	1	118.6110	0.000	1	119.3627	0.453	3	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6]C[5a,6]S[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CH3){1|O<2>,1|S<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6]C[5a,6]S[6])(C[5a]C[5a]C){1|C<4>,1|N<2>,1|O<2>,2|O<1>}	120.6080	0.000	1	120.6080	0.000	1	120.6080	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]Br)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]Br)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	120.6585	0.070	2	120.6585	0.005	2	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>}	118.8330	0.175	2	118.8330	0.031	2	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	119.3460	0.000	1	119.3460	0.000	1	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CH3){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	117.9830	0.000	1	117.9830	0.000	1	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.9040	0.891	2	119.0403	0.453	3	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	119.3130	0.000	1	119.0403	0.453	3	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.4283	0.644	9	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.4877	0.264	3	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,2|N<2>}	119.6060	0.047	2	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	119.5200	0.000	1	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	119.0553	0.367	4	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	119.5060	0.000	1	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	119.7220	0.000	1	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	119.8625	0.893	2	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	120.6890	0.000	1	119.1214	0.613	24	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]I)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]I)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<2>,2|C<3>}	120.8470	0.147	2	120.8470	0.022	2	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){2|C<3>,2|N<3>}	119.9400	0.000	1	119.9400	0.000	1	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	119.8080	0.000	1	119.8080	0.000	1	119.2916	0.760	37	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,1|O<2>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	120.4995	0.210	2	120.1737	0.341	3	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	119.5220	0.000	1	120.1737	0.341	3	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<2>,1|O<2>,2|C<3>}	118.3740	0.000	1	118.3740	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	119.8280	0.086	3	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	119.9770	0.000	1	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	118.7300	0.000	1	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	119.6980	0.392	2	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	119.7619	0.827	10	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	119.6922	0.492	9	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	118.2708	1.273	96	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	120.6813	0.995	3	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	119.6850	0.000	1	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	119.4850	0.602	13	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	119.7120	0.000	1	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	117.4920	0.000	1	118.7140	1.694	141	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	119.3720	0.464	2	119.5157	0.717	9	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	118.8520	0.000	1	119.5157	0.717	9	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	120.9260	0.192	2	119.5157	0.717	9	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	118.7340	0.000	1	119.5157	0.717	9	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	119.2470	0.000	1	119.5157	0.717	9	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|N<3>,1|O<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	119.1060	0.066	2	119.5157	0.717	9	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	120.7100	0.000	1	120.5700	0.039	2	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	120.4300	0.000	1	120.5700	0.039	2	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,3|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	119.8700	0.000	1	119.8700	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<3>,1|C<4>}	120.5450	0.000	1	120.5450	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.2470	0.000	1	120.2470	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.3530	0.000	1	120.5353	0.529	8	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.4420	0.000	1	120.5353	0.529	8	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.8760	0.806	4	120.5353	0.529	8	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|P<2>}	120.3160	0.000	1	120.5353	0.529	8	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	120.6670	0.000	1	120.5353	0.529	8	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.2543	0.572	11	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	120.9920	0.451	3	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	120.3484	0.703	11	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	120.1676	0.530	7	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	119.9487	0.579	3	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.5030	0.000	1	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	119.8726	0.464	8	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	119.9830	0.129	5	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	119.5230	0.837	2	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	120.0198	0.320	13	120.1457	0.304	64	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Co<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Co)(C[5a]C[5a]C){1|C<4>,1|H<1>}	121.9400	0.000	1	120.7253	1.219	3	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Co<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Co)(C[5a]C[5a]C){1|C<3>,1|H<1>}	120.1180	0.475	2	120.7253	1.219	3	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Cr)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Cr<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Cr)(C[5a]C[5a]C){1|C<4>,1|H<1>}	122.0010	1.205	2	122.0010	1.452	2	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Cu<5>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<4>,1|H<1>}	121.7240	0.000	1	121.7240	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Fe<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C){1|C<3>,1|H<1>}	120.4972	0.534	4	120.4972	0.285	4	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Mo<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Mo)(C[5a]C[5a]C){1|C<4>,1|H<1>}	120.0280	1.170	2	120.0280	1.368	2	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Ni<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,1|H<1>}	120.4470	0.000	1	120.4470	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	120.2080	0.385	2	120.0725	0.530	11	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	119.9305	0.775	8	120.0725	0.530	11	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|N<2>}	120.9370	0.000	1	120.0725	0.530	11	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Pt<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<4>,1|H<1>}	121.4230	0.487	4	121.4230	0.237	4	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Ru<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Ru)(C[5a]C[5a]C){1|C<4>,1|H<1>}	119.7630	0.000	1	119.7630	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	120.2120	0.854	25	120.2120	0.730	25	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Zn<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C){1|C<4>,1|H<1>}	120.6280	0.000	1	120.6280	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<5>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C){1|Cl<1>,1|Si<5>,1|C<4>,1|H<1>,2|N<3>}	120.5360	0.000	2	120.1997	0.068	6	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<5>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C){1|Si<5>,1|C<4>,1|H<1>,3|N<3>}	120.0315	0.021	4	120.1997	0.068	6	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<2>,2|C<3>}	119.8910	0.000	1	119.8910	0.000	1	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	119.7980	0.199	6	120.5277	0.744	12	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	120.6460	0.170	2	120.5277	0.744	12	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>}	121.5630	0.387	4	120.5277	0.744	12	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|N<3>}	120.6470	0.348	2	120.6470	0.121	2	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Re)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|Re<6>,1|C<4>}	C(C[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]Re)(C[5a]C[5a]C){1|C<4>,1|S<2>}	123.7790	1.962	2	123.7790	3.848	2	119.5711	1.789	309	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	C(C[5a]N[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C(C[5a]N[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C){2|C<3>}	126.5130	0.000	1	126.5130	0.000	1	126.0220	0.482	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	C(C[5a]N[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]N)(C[5a]N[5a,6]C)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]N[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]N)(C[5a]N[5a,6]C){1|C<3>,1|C<4>}	125.5310	0.000	1	125.5310	0.000	1	126.0220	0.482	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH)	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH){2|C<3>}	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	122.8860	0.000	1	123.3640	0.457	2	123.3640	0.457	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	C(C[5a]N[5a]2)(Cl)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<2>,2|C<3>}	123.8420	0.000	1	123.3640	0.457	2	123.3640	0.457	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3){4|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	123.4005	0.279	2	123.4005	0.078	2	123.3440	0.189	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	123.2340	0.623	3	123.2340	0.388	3	123.3440	0.189	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	123.5610	0.000	1	123.5610	0.000	1	123.3440	0.189	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3){2|C<2>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<2>,1|H<1>}	123.7360	0.000	1	123.7360	0.000	1	121.0027	2.295	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3){2|C<2>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|Li<4>,1|C<2>}	119.7650	0.499	2	120.4560	0.628	5	121.0027	2.295	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3)	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3){2|C<2>}	C(C[5a]N[5a]2)(F)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|Li<5>,1|C<2>}	120.9167	0.579	3	120.4560	0.628	5	121.0027	2.295	6	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH)	C(C[5a]N[5a]2)(F)2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(F)2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	121.1340	0.000	1	121.1340	0.000	1	121.1340	0.000	1	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	124.1953	0.308	3	124.1953	0.095	3	124.1953	0.095	3	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Au)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Au)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Au<2>,1|H<1>,2|C<3>}	123.4120	0.000	1	123.4120	0.000	1	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	124.6137	0.464	9	124.9129	0.392	13	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	125.5862	0.347	4	124.9129	0.392	13	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3){1|N<2>,1|S<2>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	123.5330	0.000	1	123.5330	0.000	1	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	122.8200	0.000	1	123.9993	1.043	3	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){4|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	124.5890	0.023	2	123.9993	1.043	3	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	125.1835	0.090	2	125.2498	0.136	9	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.2687	0.421	7	125.2498	0.136	9	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|S<4>,2|C<3>}	123.6080	0.000	1	123.6080	0.000	1	124.7738	0.619	28	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|H<1>}	125.8510	0.000	1	125.8510	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|B<4>,1|H<1>}	122.9680	0.503	2	122.9680	0.253	2	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|N<3>}	123.6300	0.000	1	125.8162	1.338	6	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>}	126.2534	0.489	5	125.8162	1.338	6	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	126.2140	0.000	1	126.2140	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	125.6155	0.059	2	125.6155	0.003	2	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	125.4515	0.293	2	124.2766	0.518	56	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|N<3>}	126.0740	0.000	1	124.2766	0.518	56	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	124.0258	0.508	42	124.2766	0.518	56	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	124.7272	0.850	5	124.2766	0.518	56	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	124.9657	0.693	6	124.2766	0.518	56	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|C<4>}	124.7500	0.523	2	125.1861	0.406	20	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|C<4>}	124.4490	0.174	3	125.1861	0.406	20	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Cl<1>,1|C<4>}	125.4400	0.000	1	125.1861	0.406	20	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	125.7873	0.362	8	125.1861	0.406	20	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|N<3>,1|S<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|S<4>}	124.3190	0.000	1	125.1861	0.406	20	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|N<3>}	124.9636	0.350	5	125.1861	0.406	20	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	124.9760	0.000	1	124.9760	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|C<3>}	126.2259	0.337	7	125.6325	0.261	29	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<2>,1|N<3>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<2>,1|C<3>}	125.5165	0.275	2	125.6325	0.261	29	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|H<1>}	125.4904	0.420	17	125.6325	0.261	29	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,1|O<2>,2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|O<2>}	125.0780	0.000	1	125.6325	0.261	29	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){2|C<3>}	124.9030	0.000	1	125.6325	0.261	29	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|N<3>}	125.4110	0.000	1	125.6325	0.261	29	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Cu<5>,1|C<3>}	122.1730	0.000	1	122.1730	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Fe<6>,1|C<3>}	122.3780	0.529	3	122.3780	0.279	3	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|H<1>}	124.2980	1.614	2	125.4708	1.700	6	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	127.0060	0.000	1	125.4708	1.700	6	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|H<1>}	125.7410	0.535	3	125.4708	1.700	6	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	125.8020	0.000	1	125.8020	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.6203	0.422	3	125.7194	0.137	5	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	125.8680	0.342	2	125.7194	0.137	5	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	125.7020	0.006	2	125.8824	0.354	10	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>}	125.0740	0.000	1	125.8824	0.354	10	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|H<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	126.0494	0.616	7	125.8824	0.354	10	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|H<1>}	125.9620	0.000	1	125.5439	0.119	7	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<2>,1|H<1>}	125.3020	0.086	2	125.5439	0.119	7	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	125.6750	0.000	1	125.5439	0.119	7	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){2|H<1>}	125.2665	0.057	2	125.5439	0.119	7	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|H<1>,1|N<3>}	126.0330	0.000	1	125.5439	0.119	7	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|S<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	125.7670	0.000	1	125.7670	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|B<4>,2|C<3>}	123.7920	0.000	1	123.7920	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2{1|B<4>}	124.7610	0.209	3	124.7610	0.044	3	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2{1|C<3>}	125.0340	0.000	1	125.0340	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	126.2945	0.903	2	126.2945	0.815	2	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|S<2>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S){1|H<1>}	126.3700	0.000	1	126.3700	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<4>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2{1|H<1>}	125.7670	0.000	1	125.7670	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3){1|C<4>,7|N<3>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)2{1|Nb<8>}	122.8140	0.000	1	122.8140	0.000	1	124.9768	1.102	162	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	124.2285	0.059	2	124.2285	0.003	2	125.0227	0.382	7	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	125.1820	0.055	2	125.1820	0.003	2	125.0227	0.382	7	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	125.7135	0.087	2	125.4460	0.218	3	125.0227	0.382	7	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	124.9110	0.000	1	125.4460	0.218	3	125.0227	0.382	7	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:	C[5a](N[5a]C[5,5a]D)(N[5a]N[5,5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5,5a]D)(N[5a]N[5,5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	123.9640	0.000	1	123.9640	0.000	1	123.9195	0.004	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5,5a]-3:C[5a]-3:	C[5a](N[5a]C[5,5a]H)(N[5a]N[5,5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5,5a]H)(N[5a]N[5,5a])(CH3){1|C<3>,1|N<2>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.8750	0.000	1	123.8750	0.000	1	123.9195	0.004	2	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	124.7387	0.363	3	124.7387	0.132	3	124.5405	0.776	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<3>}	124.7727	0.462	3	124.7727	0.214	3	124.5405	0.776	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<2>,1|O<1>,2|C<3>}	124.9510	0.239	2	125.1787	0.184	3	124.5405	0.776	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|C<3>}	125.6340	0.000	1	125.1787	0.184	3	124.5405	0.776	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3)	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(H)3	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,1|S<4>,2|C<3>}	122.9375	0.240	2	122.9375	0.057	2	124.5405	0.776	11	120.6144	5.297	1341	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	4:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a,6]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a,6]C[5a,6a]C[6]2)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a,6]C[5a,6a]C[6]2)(C[5a]C[5a,6a]C){2|C<3>,2|C<4>,4|H<1>}	121.5360	0.000	1	121.5360	0.000	1	121.5360	0.000	1	121.5455	0.000	2	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:1:1:1:	4:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:H-1:H-1:H-1:	N[5a]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]CC)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]CC)(C[5a]C[5a,6a]C){2|C<3>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.5455	0.000	2	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHO){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	122.0135	0.408	2	122.0135	0.166	2	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	120.2950	0.000	1	120.8287	2.040	3	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){2|C<4>}	121.0955	1.911	2	120.8287	2.040	3	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){2|C<4>}	123.2650	0.437	2	123.2650	0.191	2	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){2|C<4>}	121.7710	0.000	1	121.0924	1.462	5	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|N<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>}	120.9227	1.326	4	121.0924	1.462	5	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OB[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OB[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.3785	0.372	4	121.3785	0.138	4	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	122.1787	0.858	3	121.4807	0.809	12	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.2480	0.828	9	121.4807	0.809	12	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.3180	0.619	3	121.3180	0.383	3	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.1171	1.628	8	121.1171	2.649	8	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.4244	0.467	7	121.7174	0.900	23	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.8456	1.084	16	121.7174	0.900	23	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	122.0534	0.646	9	122.0538	0.286	14	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.0544	0.307	5	122.0538	0.286	14	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]C[5a]N[5a])(ON)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]C[5a]N[5a])(ON)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.4740	0.000	1	121.4740	0.000	1	121.6156	1.014	77	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHS){1|C<4>}	C(C[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	125.2080	0.000	1	125.2080	0.000	1	125.2080	0.000	1	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	126.2130	1.332	4	126.2130	1.775	4	126.2130	1.775	4	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){3|C<3>}	C(C[5a]N[5a]2)(NC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	127.7010	0.000	1	127.7010	0.000	1	127.7010	0.000	1	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CHHO){1|S<2>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|S<2>}	124.7790	0.000	1	124.7790	0.000	1	125.9366	1.357	14	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO){1|S<2>,2|C<3>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	126.0553	0.390	4	125.5596	1.342	5	125.9366	1.357	14	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO){3|C<3>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	123.5770	0.000	1	125.5596	1.342	5	125.9366	1.357	14	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHO){1|C<4>}	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	126.3847	0.152	4	126.3847	0.023	4	125.9366	1.357	14	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[5])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[5])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	128.8110	0.000	1	128.8110	0.000	1	125.9366	1.357	14	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	125.3953	0.322	3	125.3953	0.104	3	125.9366	1.357	14	122.5177	4.290	98	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(C[5a]O[5a]H)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CHHO){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(C[5a]O[5a]H){1|C<3>}	123.6000	0.000	1	123.6000	0.000	1	119.6500	3.402	10	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){2|H<1>}	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	121.5320	0.000	1	121.5320	0.000	1	119.6500	3.402	10	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO){1|N<3>}	C(C[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	118.6840	0.455	2	118.6840	0.207	2	119.6500	3.402	10	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	117.5830	0.472	2	117.5830	0.223	2	119.6500	3.402	10	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	C(C[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|H<1>}	120.0090	0.492	2	120.0090	0.242	2	119.6500	3.402	10	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO){1|C<3>}	C(C[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	119.4080	0.120	2	119.4080	0.014	2	119.6500	3.402	10	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS){1|N<2>}	C(C[5a]C[5a]N[5a])(SC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	118.7425	0.514	2	118.7425	0.264	2	118.7425	0.264	2	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Se-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH)	C(C[5a]C[5a]N[5a])(SeC[6a])(H)2	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(SeC[6a])(H)2	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	121.4040	0.000	1	121.4040	0.000	1	121.1907	0.197	3	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Se-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH)	C(C[5a]C[5a]N[5a])(SeSe)(H)2	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(SeSe)(H)2	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	121.0840	0.570	2	121.0840	0.325	2	121.1907	0.197	3	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(CCHH)	C(C[5a]N[5a]2)(CC[5])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(CCHH){2|C<2>}	C(C[5a]N[5a]2)(CC[5])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|H<1>,2|C<2>}	126.4530	0.000	1	126.4530	0.000	1	126.4530	0.000	1	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO)	C(C[5a]N[5a]2)(ON[6])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(ON[6])(H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	123.5975	0.081	2	123.5975	0.007	2	123.5975	0.007	2	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.9436	1.088	5	123.8297	1.025	6	123.9470	0.861	14	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	123.2600	0.000	1	123.8297	1.025	6	123.9470	0.861	14	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.6230	0.000	1	123.6230	0.000	1	123.9470	0.861	14	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	123.7640	0.973	5	123.7640	0.947	5	123.9470	0.861	14	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	124.9185	0.206	2	124.9185	0.042	2	123.9470	0.861	14	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO)	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO){2|H<1>}	C(C[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	124.3077	0.603	10	124.3077	0.364	10	124.6232	0.920	12	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|N<3>}	C(C[5a]N[5a]2)(OH)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	126.8600	0.000	1	126.8600	0.000	1	124.6232	0.920	12	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(C[5a]N[5a]2)(ON)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|N<3>}	C(C[5a]N[5a]2)(ON)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	125.5420	0.000	1	125.5420	0.000	1	124.6232	0.920	12	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHS)	C(C[5a]N[5a]2)(SC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHS){2|C<3>}	C(C[5a]N[5a]2)(SC[6a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	123.5100	0.000	1	123.5100	0.000	1	123.5100	0.000	1	122.7567	5.954	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CC[5a]HH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){2|C<3>}	121.6240	0.240	2	121.6240	0.058	2	121.6240	0.058	2	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	119.6787	0.635	3	119.6787	0.403	3	119.6787	0.403	3	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.6420	0.000	1	121.6420	0.000	1	121.9712	0.635	5	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.6545	1.273	2	122.0535	0.801	4	121.9712	0.635	5	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.4525	0.381	2	122.0535	0.801	4	121.9712	0.635	5	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	119.0850	0.000	1	119.0850	0.000	1	119.0850	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHN){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	121.4507	0.417	4	121.4507	0.174	4	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){2|C<4>}	119.4100	0.000	1	119.4100	0.000	1	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.7750	0.000	1	122.5200	1.560	5	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.7062	1.360	4	122.5200	1.560	5	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.9070	0.345	2	121.5976	1.025	12	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.5357	1.102	10	121.5976	1.025	12	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NC[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.9300	0.000	1	121.9300	0.000	1	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[5a]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]N[5a])(NC[5a]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	122.5785	1.108	2	122.5785	1.228	2	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	122.0740	0.000	1	122.0740	0.000	1	121.7748	1.193	26	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	122.0620	0.972	2	122.0620	0.944	2	121.7246	0.585	11	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	122.1905	0.820	2	121.5962	1.087	5	121.7246	0.585	11	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.2000	1.118	3	121.5962	1.087	5	121.7246	0.585	11	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.7165	0.284	4	121.7165	0.081	4	121.7246	0.585	11	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CN[5]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	120.7490	0.000	1	120.7490	0.000	1	121.3461	0.293	10	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.4124	0.530	9	121.4124	0.281	9	121.3461	0.293	10	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.5850	1.307	2	121.5850	1.708	2	122.0445	1.322	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.5040	1.189	2	122.5040	1.415	2	122.0445	1.322	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	122.5420	0.000	1	121.3877	1.369	4	121.3877	1.369	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.0030	1.080	3	121.3877	1.369	4	121.3877	1.369	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.5680	0.000	1	121.5680	0.000	1	121.6792	0.347	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.4440	0.000	1	121.7163	0.512	3	121.6792	0.347	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.8525	0.955	2	121.7163	0.512	3	121.6792	0.347	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[6a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.1270	1.400	2	122.1270	1.960	2	122.1270	1.960	2	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHN)	C(C[5a]N[5a,6]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CHHN){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	125.8390	0.000	1	125.8390	0.000	1	125.8390	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CN[5a]HH)	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CN[5a]HH){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	127.7800	0.000	1	127.7800	0.000	1	127.7800	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|S<2>}	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	126.9200	0.000	1	126.9200	0.000	1	126.9200	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<3>}	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	C(C[5a]N[5a]2)(CCC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|C<3>}	125.2605	0.858	2	125.2605	0.736	2	125.7628	3.191	5	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CNO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(C[5a]N[5a]2)(CNO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	128.8250	0.000	1	128.8250	0.000	1	125.7628	3.191	5	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	124.7340	0.167	2	124.7340	0.028	2	125.7628	3.191	5	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|N<3>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){2|N<3>}	126.7935	0.255	2	126.7935	0.065	2	125.2089	1.468	8	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Co)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Co)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Co<6>}	124.6807	0.838	6	124.6807	0.703	6	125.2089	1.468	8	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<2>,2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	126.3680	0.000	1	126.3680	0.000	1	125.8873	2.398	10	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	125.6490	0.922	2	125.6490	0.850	2	125.8873	2.398	10	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	125.9820	0.000	1	125.9820	0.000	1	125.8873	2.398	10	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	125.8708	2.019	6	125.8708	4.076	6	125.8873	2.398	10	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CHHN){1|S<2>}	C(C[5a]N[5a]2)(NC[6a]H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|N<3>,1|S<2>}	125.8150	0.000	1	125.8150	0.000	1	124.8804	1.258	8	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	125.9100	1.187	2	125.9100	1.408	2	124.8804	1.258	8	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	123.2810	0.000	1	123.2810	0.000	1	124.8804	1.258	8	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	123.6550	0.000	1	123.6550	0.000	1	124.8804	1.258	8	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCN)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	124.8240	0.410	3	124.8240	0.168	3	124.8804	1.258	8	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	126.6640	0.000	1	126.6640	0.000	1	126.0240	0.819	2	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	125.3840	0.000	1	125.3840	0.000	1	126.0240	0.819	2	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	126.2520	0.000	2	126.2520	0.000	2	126.2520	0.000	2	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	125.8420	0.000	1	125.8420	0.000	1	125.8420	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[6]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(CC[6]HH)	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(CC[6]HH)	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Mn<6>}	124.5360	0.000	1	124.5360	0.000	1	124.5360	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	126.2490	0.000	1	126.2490	0.000	1	126.2490	0.000	1	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|S<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	125.0195	0.301	2	125.0195	0.090	2	124.8072	0.132	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CN[5a]HH){1|S<2>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|N<3>,1|S<2>}	124.3460	0.000	1	124.3460	0.000	1	124.8072	0.132	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	124.8440	0.000	1	124.8440	0.000	1	124.8072	0.132	4	123.0926	4.934	119	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a,6]N[5a])(CCH)(H)2	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|O<2>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(CCH)(H)2	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	120.9390	0.000	1	120.9390	0.000	1	120.9390	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	121.7800	0.000	1	121.7800	0.000	1	121.7800	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|H<1>,2|C<3>}	121.1100	0.000	1	121.1100	0.000	1	121.1100	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	117.9000	0.000	1	117.9000	0.000	1	117.4926	1.244	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	117.7180	0.000	1	117.7180	0.000	1	117.4926	1.244	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|N<2>}	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	118.2355	0.482	2	118.2355	0.232	2	117.4926	1.244	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH){1|N<3>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|P<3>}	116.6385	2.370	2	116.6385	5.615	2	117.4926	1.244	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH){1|N<3>}	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|P<3>}	117.2875	0.001	2	117.2875	0.000	2	117.4926	1.244	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	120.1043	0.874	3	120.1043	0.764	3	120.1043	0.764	3	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	119.5560	0.000	1	119.5560	0.000	1	119.5560	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>,1|C<4>}	120.8080	0.000	1	120.8080	0.000	1	120.4460	5.523	4	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	120.2650	0.000	1	120.2650	0.000	1	120.4460	5.523	4	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CC[6a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	123.2180	0.000	1	123.2180	0.000	1	120.4460	5.523	4	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH){1|N<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	117.4930	0.000	1	117.4930	0.000	1	120.4460	5.523	4	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	120.9547	1.404	3	120.9547	1.971	3	121.6142	3.054	4	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]N[5a]O)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]O)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|O<2>}	123.5930	0.000	1	123.5930	0.000	1	121.6142	3.054	4	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	120.3740	0.000	1	120.3740	0.000	1	120.3740	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|H<1>}	121.6275	1.269	2	121.6275	1.611	2	121.6275	1.611	2	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|C<2>,1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<2>,1|C<3>}	116.6950	0.000	1	116.6950	0.000	1	118.6050	4.767	3	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHN){2|C<4>}	C(C[5a]C[5a]N[5a])(NC[6a]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.5600	2.015	2	119.5600	4.061	2	118.6050	4.767	3	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH){1|Cl<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C){1|H<1>}	118.7780	0.000	1	118.7780	0.000	1	118.7780	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	122.1695	0.272	2	122.1695	0.074	2	122.1695	0.074	2	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SCuC)(H)2	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS){1|C<3>}	C(C[5a]C[5a]N[5a])(SCuC)(H)2	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	114.5050	0.000	1	114.5050	0.000	1	114.5050	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(C[5a]N[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C){2|C<3>}	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	C(C[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|C<4>}	123.7270	0.000	1	123.7270	0.000	1	124.7225	1.982	2	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|H<1>,2|N<2>}	125.7180	0.000	1	125.7180	0.000	1	124.7225	1.982	2	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH)	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH){2|C<3>}	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.1640	0.000	1	125.1640	0.000	1	125.1640	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.6900	0.584	2	123.6900	0.341	2	124.3529	0.635	36	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.5660	0.000	1	125.5660	0.000	1	124.3529	0.635	36	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C(C[5a]N[5a]2)2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	124.3303	0.779	32	124.3303	0.607	32	124.3529	0.635	36	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){1|C<3>,1|N<2>}	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	125.1860	0.000	1	125.1860	0.000	1	124.3529	0.635	36	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	125.3950	0.000	1	125.3950	0.000	1	125.2922	1.548	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	126.0715	1.438	2	126.0715	2.067	2	125.2922	1.548	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|C<4>,1|O<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	124.0163	0.388	3	124.0163	0.150	3	125.2922	1.548	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	126.3755	0.100	2	126.3755	0.010	2	125.2922	1.548	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	124.0000	0.000	1	124.0000	0.000	1	124.4905	0.314	6	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	124.5886	0.566	5	124.5886	0.321	5	124.4905	0.314	6	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>}	123.6910	0.000	1	123.6910	0.000	1	125.2287	1.774	3	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	125.9975	0.046	2	125.9975	0.002	2	125.2287	1.774	3	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	125.7390	0.000	1	125.7390	0.000	1	125.1471	0.683	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	126.4830	0.000	1	126.4830	0.000	1	125.1471	0.683	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	125.0955	0.100	2	124.8258	0.406	6	125.1471	0.683	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	124.6910	0.775	4	124.8258	0.406	6	125.1471	0.683	8	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	122.2794	2.242	10	122.2794	5.025	10	124.1133	3.156	45	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NC[6a]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NC[6a]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.6500	0.000	1	123.6500	0.000	1	124.1133	3.156	45	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NC[6a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.5450	0.000	1	123.5450	0.000	1	124.1133	3.156	45	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	124.4040	1.116	20	124.4040	1.245	20	124.1133	3.156	45	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){1|C<3>,1|N<2>}	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	123.9910	0.000	1	124.7457	2.478	6	124.1133	3.156	45	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	124.8966	1.711	5	124.7457	2.478	6	124.1133	3.156	45	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NC[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NC[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	126.0215	1.442	2	126.0215	2.079	2	124.1133	3.156	45	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|P<3>,2|C<3>}	125.3022	0.853	5	125.3022	0.728	5	124.1133	3.156	45	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	125.1950	0.542	3	125.3016	0.313	7	125.1796	0.356	12	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	125.3815	0.640	4	125.3016	0.313	7	125.1796	0.356	12	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	125.5840	0.226	2	125.5840	0.051	2	125.1796	0.356	12	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(NCH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	124.6253	0.565	3	124.6253	0.319	3	125.1796	0.356	12	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	124.0657	1.041	3	124.0657	1.083	3	124.5982	1.121	6	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.1307	0.933	3	125.1307	0.870	3	124.5982	1.121	6	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH)	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	123.7952	1.237	4	123.7952	1.531	4	123.7952	1.531	4	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	122.7850	0.000	1	122.7850	0.000	1	123.2385	0.411	2	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6]HH){2|C<3>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	123.6920	0.000	1	123.6920	0.000	1	123.2385	0.411	2	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CN[6]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	125.5970	0.000	1	125.5970	0.000	1	125.5970	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH){2|C<3>}	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	124.7370	0.000	1	124.7370	0.000	1	124.7370	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	123.5050	0.000	1	123.5050	0.000	1	123.5050	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CHHO)	C(C[5a]N[5a]2)(OCuC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CHHO){2|C<3>}	C(C[5a]N[5a]2)(OCuC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<5>,1|H<1>,2|C<3>}	124.6890	0.231	4	124.6890	0.053	4	124.6890	0.053	4	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	126.7610	0.000	1	126.7610	0.000	1	126.7610	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ni<4>,1|H<1>,2|C<3>}	123.7275	0.120	2	123.7275	0.014	2	123.7275	0.014	2	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	N[6]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[6]HH)	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[6]HH){2|C<3>}	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.9130	0.000	1	125.9130	0.000	1	125.9130	0.000	1	123.5388	6.025	180	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]S[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]C[5a]N[5a])(CN[6]O)(SC[6a])(H)	N[5a](C[5a]C[5a]C)(N[5a]S[5a])	C[5a](C[5a]S[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]C[5a]N[5a])(CN[6]O)(SC[6a])(H)	N[5a](C[5a]C[5a]C)(N[5a]S[5a]){1|H<1>}	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	118.5345	6.834	2	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]HO){1|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	118.5345	6.834	2	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	122.7087	6.075	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C(C[5a]C[5a]N[5a])(COO)(OH)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(COO)(OH)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	120.9060	0.000	1	120.9060	0.000	1	120.9060	0.000	1	122.7087	6.075	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<3>}	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	122.7087	6.075	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(SC)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS){2|H<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(SC)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	125.8920	0.000	1	125.8920	0.000	1	125.8920	0.000	1	122.7087	6.075	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:2:2:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-2:C-2:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CN)2	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CN)2	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]S)(N[5a]O[5a])(CC[6a]HN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]S)(N[5a]O[5a])(CC[6a]HN){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|S<4>}	118.9950	0.000	1	118.9950	0.000	1	118.9950	0.000	1	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:F-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CFNN)	C(C[5a]C[5a]N[5a])(NOO)2(F)	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CFNN)	C(C[5a]C[5a]N[5a])(NOO)2(F)	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|N<2>}	119.9810	0.000	1	119.9810	0.000	1	119.9810	0.000	1	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CHNN)	C(C[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CHNN)	C(C[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|N<2>}	121.6140	0.000	1	121.6140	0.000	1	120.1894	0.907	5	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(CHNN)	C(C[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(CHNN)	C(C[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|O<2>}	119.8332	0.604	4	119.8332	0.364	4	120.1894	0.907	5	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCC)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCC)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	127.1650	0.000	1	127.1650	0.000	1	126.0983	5.906	4	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	127.1100	0.000	1	127.1100	0.000	1	126.0983	5.906	4	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	127.6470	0.000	1	127.6470	0.000	1	126.0983	5.906	4	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	122.4710	0.000	1	122.4710	0.000	1	126.0983	5.906	4	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:Cl-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	C(C[5a]N[5a]2)(NOO)2(Cl)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	C(C[5a]N[5a]2)(NOO)2(Cl)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|N<2>}	125.3020	0.000	1	125.3020	0.000	1	125.3020	0.000	1	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-3:C-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH)	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH){2|C<3>}	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	128.6980	0.337	2	128.6980	0.113	2	128.6980	0.113	2	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	122.6320	0.000	1	122.6320	0.000	1	121.5825	2.203	2	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	120.5330	0.000	1	120.5330	0.000	1	121.5825	2.203	2	123.1362	13.378	16	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:C-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CCCH)	C(C[5a]C[5a]N[5a])(COO)2(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CCCH){3|C<3>}	C(C[5a]C[5a]N[5a])(COO)2(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	120.7380	0.000	1	120.7380	0.000	1	120.7380	0.000	1	120.8894	4.510	14	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]2H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	120.8894	4.510	14	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	118.9555	0.561	2	118.9555	0.314	2	120.4027	2.469	6	120.8894	4.510	14	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	121.8127	0.218	3	121.8127	0.048	3	120.4027	2.469	6	120.8894	4.510	14	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	119.0670	0.000	1	119.0670	0.000	1	120.4027	2.469	6	120.8894	4.510	14	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]2H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]2H){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	121.4253	1.631	3	121.4253	2.659	3	121.4253	2.659	3	120.8894	4.510	14	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H){2|C<3>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	120.1270	0.000	1	120.1270	0.000	1	120.1270	0.000	1	120.8894	4.510	14	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	121.6345	6.035	2	121.6345	36.423	2	121.6345	36.423	2	120.8894	4.510	14	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:2:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-3:C[5]-3:O-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O)	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O){2|H<1>}	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN3)	C(C[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	C(C[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]N){2|H<1>}	118.1260	0.000	1	118.1260	0.000	1	118.5837	0.164	3	118.5837	0.164	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3)	C(C[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	C(C[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|N<3>}	118.8950	0.000	1	118.8125	0.014	2	118.5837	0.164	3	118.5837	0.164	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3)	C(C[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3){2|H<1>}	C(C[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>}	118.7300	0.000	1	118.8125	0.014	2	118.5837	0.164	3	118.5837	0.164	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH){1|S<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<4>}	122.0700	0.000	1	122.0700	0.000	1	122.0700	0.000	1	125.1558	7.021	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH){1|S<4>}	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<4>}	121.8060	0.000	1	121.8060	0.000	1	121.8060	0.000	1	125.1558	7.021	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH)	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	127.2690	0.000	1	127.2690	0.000	1	127.2690	0.000	1	125.1558	7.021	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Pd)(N[5a]N[5a])(CC[5a]HN)	C(C[5a]N[5a]2)2(NH3)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Pd)(N[5a]N[5a])(CC[5a]HN)	C(C[5a]N[5a]2)2(NH3)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Pd<4>}	125.8720	0.720	2	125.8720	0.518	2	125.8720	0.518	2	125.1558	7.021	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH)	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH){1|H<1>,2|C<4>}	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	128.0460	0.000	1	128.0460	0.000	1	128.0460	0.000	1	125.1558	7.021	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	119.4190	0.000	1	119.4190	0.000	1	119.4190	0.000	1	122.7380	6.930	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS){2|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>}	122.6970	0.000	1	122.6970	0.000	1	121.0523	4.403	3	122.7380	6.930	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS){2|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	118.6890	0.000	1	118.6890	0.000	1	121.0523	4.403	3	122.7380	6.930	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	121.7710	0.000	1	121.7710	0.000	1	121.0523	4.403	3	122.7380	6.930	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.6930	0.000	1	123.6930	0.000	1	123.2133	1.124	3	122.7380	6.930	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]N[5a]2)2(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	C(C[5a]N[5a]2)2(CCHH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	122.9735	1.380	2	122.9735	1.903	2	123.2133	1.124	3	122.7380	6.930	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CC[5a]CH)	C(C[5a]N[5a]2)2(CCCH)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CC[5a]CH){2|H<1>}	C(C[5a]N[5a]2)2(CCCH)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Cu<5>,1|H<1>}	126.2130	0.123	2	126.2130	0.015	2	126.2130	0.015	2	122.7380	6.930	9	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:2:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:O-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO)	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO){2|H<1>}	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	124.5630	0.374	4	124.5630	0.140	4	124.5630	0.140	4	124.5630	0.140	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.3186	0.161	5	121.3186	0.026	5	121.3186	0.026	5	122.3500	5.060	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:4:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	C(C[5a]N[5a]2)2(CCHH)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	C(C[5a]N[5a]2)2(CCHH)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	124.9285	3.412	2	124.9285	11.640	2	124.9285	11.640	2	122.3500	5.060	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:3:4:4:	3:3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC)	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC){2|C<3>}	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	122.9387	0.874	3	122.9387	0.764	3	122.9387	0.764	3	122.9387	0.764	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(CCHH)	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,2|C<4>}	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a]){1|C<3>,1|C<4>}	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a]){2|C<3>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CHHS)	C(C[5a]C[5a,6a]N[5a])(SNOO)(H)2	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CHHS){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(SNOO)(H)2	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){2|C<3>}	119.7130	0.533	2	119.7130	0.284	2	119.7130	0.284	2	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(CC3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	123.7525	3.074	2	123.7525	9.448	2	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	122.1575	3.695	2	122.1050	4.660	4	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){2|C<3>}	122.0525	0.564	2	122.1050	4.660	4	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	122.1370	3.589	2	122.1370	12.883	2	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.1017	0.252	4	122.1017	0.063	4	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<2>,1|H<1>}	122.3350	0.000	1	122.0744	1.085	34	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.2338	0.424	4	122.0744	1.085	34	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.2235	1.065	28	122.0744	1.085	34	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|S<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<4>}	121.0010	0.000	1	122.0744	1.085	34	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|I<1>}	122.3070	0.000	1	122.3070	0.000	1	122.1584	1.689	47	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	117.7300	0.000	1	117.7300	0.000	1	118.3945	0.883	2	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(N[5a]O[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	119.0590	0.000	1	119.0590	0.000	1	118.3945	0.883	2	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH)	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.1800	0.000	1	121.1800	0.000	1	121.1800	0.000	1	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	121.5680	0.000	1	121.5680	0.000	1	120.7137	1.380	3	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	120.2865	1.290	2	120.2865	1.665	2	120.7137	1.380	3	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCoCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCoCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.2650	0.000	1	122.2650	0.000	1	121.9711	1.433	9	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCuCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NCuCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.4715	1.814	2	121.4715	3.290	2	121.9711	1.433	9	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NFeCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.5417	0.826	4	121.5417	0.682	4	121.9711	1.433	9	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NReCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	C(C[5a]C[5a]N[5a])(NReCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	123.1825	1.368	2	123.1825	1.872	2	121.9711	1.433	9	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:P-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]Pd)(N[5a]N[5a])(CHHP)	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]Pd)(N[5a]N[5a])(CHHP){1|C<4>}	C(C[5a]C[5a]N[5a])(PPdCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|Pd<4>,1|C<4>}	128.9480	0.000	1	128.9480	0.000	1	128.9480	0.000	1	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	128.0810	0.000	1	128.0810	0.000	1	127.4610	0.341	3	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]){1|N<2>,1|S<2>}	127.1510	0.325	2	127.1510	0.106	2	127.4610	0.341	3	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	127.0449	0.191	8	127.0449	0.037	8	127.0149	0.040	9	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	126.7750	0.000	1	126.7750	0.000	1	127.0149	0.040	9	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CCHH){3|C<3>}	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	123.6430	0.000	1	123.6430	0.000	1	123.6430	0.000	1	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	C(C[5a]N[5a]2)(CCFF)(F)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|B<4>}	122.2160	0.000	1	122.2160	0.000	1	122.2160	0.000	1	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|O<2>,2|C<3>}	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|O<2>}	125.7070	0.000	1	126.0255	0.203	2	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|S<1>,2|C<3>}	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|S<1>}	126.3440	0.000	1	126.0255	0.203	2	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<4>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	126.5242	0.735	8	126.5242	0.540	8	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|C<4>,2|C<3>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	127.4267	1.047	4	127.4267	1.096	4	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHN)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHN)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	124.5390	0.000	1	124.5390	0.000	1	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	123.8750	0.000	1	123.8750	0.000	1	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	126.6745	1.603	2	126.6745	2.570	2	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	127.4770	0.097	3	127.4770	0.009	3	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Zn)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CN[5]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Zn)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CN[5]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Zn<5>}	124.0890	0.264	2	124.0890	0.070	2	126.3619	1.758	23	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Cd)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCdCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Cd)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NCdCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Cd<6>}	124.6600	0.000	1	124.6600	0.000	1	125.2775	0.763	2	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NMnCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(CHHN)	C(C[5a]N[5a]2)(NMnCH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|Mn<6>}	125.8950	0.000	1	125.8950	0.000	1	125.2775	0.763	2	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	126.0130	0.000	1	126.0130	0.000	1	126.0577	1.688	4	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	C(C[5a]N[5a]2)(N[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	126.0727	1.591	3	126.0727	2.531	3	126.0577	1.688	4	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHS)	C(C[5a]N[5a]2)(SC[6a]OO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHS)	C(C[5a]N[5a]2)(SC[6a]OO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	125.7610	0.000	1	125.7610	0.000	1	125.7610	0.000	1	123.6589	7.180	111	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF)	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF){1|F<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	118.8847	0.404	4	118.8847	0.163	4	119.2905	0.508	6	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF)	C(C[5a]C[5a,6a]N[5a])(CF3)(F)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF){1|F<1>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CF3)(F)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	120.1020	0.274	2	120.1020	0.075	2	119.2905	0.508	6	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	122.4870	0.000	1	122.4870	0.000	1	121.6920	0.700	3	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCHH){1|C<4>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	121.2945	0.672	2	121.2945	0.452	2	121.6920	0.700	3	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]F)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|F<1>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]F){2|H<1>}	120.6700	0.000	1	120.6700	0.000	1	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	120.2840	0.000	1	121.2524	1.812	11	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	121.0276	1.293	5	121.2524	1.812	11	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CCHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	121.6708	1.530	5	121.2524	1.812	11	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	121.4966	0.680	9	121.4966	0.462	9	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	119.5820	2.793	2	119.5820	7.801	2	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	122.6135	0.870	2	122.6135	0.758	2	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|N<2>,1|N<3>,1|S<2>}	119.8650	0.000	1	119.8650	0.000	1	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CCHH){1|C<4>}	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|H<1>}	119.9240	0.000	1	119.9240	0.000	1	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|Br<1>,1|N<2>,1|S<2>}	119.2360	0.000	1	119.2360	0.000	1	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|C<3>,1|N<2>,1|S<2>}	118.7645	0.168	2	118.7645	0.028	2	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|H<1>,1|N<2>,1|S<2>}	119.4640	0.000	1	119.4640	0.000	1	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|H<1>,1|N<2>,1|S<2>}	119.3840	0.000	1	119.3840	0.000	1	120.8659	2.020	32	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	119.9840	0.000	1	119.9840	0.000	1	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|N<3>,2|N<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	117.9080	0.000	1	117.9080	0.000	1	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	121.9850	0.000	1	121.9850	0.000	1	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	120.3190	0.000	1	120.3190	0.000	1	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	120.9770	0.110	2	120.9770	0.012	2	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	120.4930	0.000	1	120.4930	0.000	1	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	120.8745	0.667	2	120.8745	0.445	2	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]O)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]O)(N[5a]N[5a])(CCHH){1|C<4>,1|O<2>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|O<2>}	121.4700	1.237	2	121.4700	1.531	2	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|S<2>}	121.9385	0.664	2	121.9385	0.441	2	120.8622	1.392	13	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:	C[5a](C[5a]C[5,5a]S)(N[5a]N[5,5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5,5a]S)(N[5a]N[5,5a])(CCHH){2|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|S<4>,2|C<4>,2|H<1>}	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CCHH){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	120.3645	0.317	2	120.3645	0.101	2	120.3645	0.101	2	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	119.9780	0.000	1	119.9780	0.000	1	120.6989	0.474	8	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	121.2450	0.000	1	121.2450	0.000	1	120.6989	0.474	8	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	120.8280	0.642	4	120.8280	0.413	4	120.6989	0.474	8	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.2810	0.000	1	121.2810	0.000	1	120.6989	0.474	8	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|Cu<5>,1|C<3>}	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<3>,1|H<1>}	119.7750	0.000	1	119.7750	0.000	1	120.6989	0.474	8	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN)	C(C[5a]C[5a]N[5a])(NCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(NCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|H<1>}	121.1460	0.000	1	121.1460	0.000	1	121.1460	0.000	1	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS){1|C<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	116.2970	0.000	1	116.2970	0.000	1	118.3025	8.044	2	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHS)	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHS){2|C<4>}	C(C[5a]C[5a]N[5a])(SC[6a]OO)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|N<3>}	120.3080	0.000	1	120.3080	0.000	1	118.3025	8.044	2	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]Cl)(C[5a]N[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]Cl)(C[5a]N[5a,6a]C){2|C<3>}	125.7945	0.032	2	125.7945	0.001	2	125.7945	0.001	2	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Ag)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Ag)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ag<2>,1|H<1>,2|C<3>}	122.1100	0.000	1	122.1100	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	125.5937	0.249	3	125.3388	0.301	4	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	124.5740	0.000	1	125.3388	0.301	4	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	125.6210	0.000	1	125.6210	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	125.1900	0.198	4	125.1900	0.039	4	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.8380	0.000	1	123.8380	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	124.9440	0.000	1	124.9440	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<4>,1|H<1>,2|C<3>}	121.6650	0.000	1	121.6650	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<4>,1|H<1>,2|C<3>}	122.3590	0.000	1	122.3590	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CHHS)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<5>,1|H<1>,2|C<3>}	121.2995	1.124	2	121.2995	1.262	2	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	124.4335	0.036	2	125.3183	1.042	15	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.4544	1.032	13	125.3183	1.042	15	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.1645	0.080	2	125.1645	0.006	2	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.9650	0.000	1	125.9650	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CN[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.8120	0.000	1	125.8120	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	124.9750	0.000	1	124.9750	0.000	1	124.7807	2.128	36	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|C<4>}	122.9190	1.196	2	123.3260	1.213	3	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){2|C<4>}	124.1400	0.000	1	123.3260	1.213	3	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|S<2>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C){1|C<3>,1|C<4>}	122.9570	0.000	1	122.9570	0.000	1	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	123.2150	0.477	2	123.2150	0.227	2	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<2>,2|H<1>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	124.1410	0.000	1	124.1410	0.000	1	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CCHH){2|C<4>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|Cu<4>,1|C<4>}	123.3825	0.626	2	123.3825	0.392	2	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	127.2660	0.000	1	127.2660	0.000	1	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|H<1>}	124.8475	0.910	4	124.8475	0.828	4	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(CCHH){2|H<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|S<4>}	127.4740	0.000	1	127.4740	0.000	1	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	126.6455	0.327	2	126.6455	0.107	2	124.5701	2.761	17	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	125.2555	0.426	10	125.2555	0.181	10	125.0295	0.707	18	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	124.9050	0.628	2	124.9050	0.394	2	125.0295	0.707	18	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	124.0533	1.443	3	124.0533	2.082	3	125.0295	0.707	18	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	124.4370	0.000	1	124.4370	0.000	1	125.0295	0.707	18	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	125.0990	0.000	1	125.0990	0.000	1	125.0295	0.707	18	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]O)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]O)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|O<1>,1|O<2>}	126.4700	0.000	1	126.4700	0.000	1	125.0295	0.707	18	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCoCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCoCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Co<5>,1|H<1>,2|C<3>}	124.7612	1.161	4	124.7612	1.347	4	124.5447	1.335	15	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NFeCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NFeCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Fe<5>,1|H<1>,2|C<3>}	124.4267	0.969	3	124.8458	2.032	6	124.5447	1.335	15	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NFeCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NFeCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Fe<6>,1|H<1>,2|C<3>}	125.2650	1.901	3	124.8458	2.032	6	124.5447	1.335	15	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	123.2480	0.000	1	123.2480	0.000	1	124.5447	1.335	15	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	123.4470	0.000	1	123.4470	0.000	1	124.5447	1.335	15	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NMnCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NMnCC)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.1370	0.000	1	125.1370	0.000	1	124.5447	1.335	15	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NMnCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NMnCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	124.3770	0.000	1	124.3770	0.000	1	124.5447	1.335	15	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CHHN)	C(C[5a]N[5a]2)(NNiHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CHHN){2|C<3>}	C(C[5a]N[5a]2)(NNiHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ni<6>,1|H<1>,2|C<3>}	123.8410	0.000	1	123.8410	0.000	1	124.5447	1.335	15	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	123.8990	0.000	1	123.8990	0.000	1	123.8990	0.000	1	122.9926	5.909	158	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:2:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHO)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CCHO){1|C<3>,1|S<2>}	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	N[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]){1|N<2>,1|S<2>}	124.3180	0.000	1	124.3180	0.000	1	124.3180	0.000	1	127.2615	5.378	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHO)	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHO){1|C<4>}	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>}	127.3765	0.281	2	127.3765	0.079	2	128.2427	2.290	3	127.2615	5.378	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHO)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHO)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	129.9750	0.000	1	129.9750	0.000	1	128.2427	2.290	3	127.2615	5.378	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHO)	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<2>}	122.1485	0.702	2	122.1485	0.493	2	122.1485	0.493	2	124.4897	3.131	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	122.2920	0.000	1	122.2920	0.000	1	125.0750	1.997	8	124.4897	3.131	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]2)(CH3)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]2)(CH3)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	126.7900	0.000	1	126.7900	0.000	1	125.0750	1.997	8	124.4897	3.131	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	125.1718	0.417	4	125.1718	0.174	4	125.0750	1.997	8	124.4897	3.131	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHO)	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHO){2|C<3>}	C(C[5a]N[5a]2)(CH3)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	125.4155	1.582	2	125.4155	2.502	2	125.0750	1.997	8	124.4897	3.131	10	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CCHN)	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CCHN){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	119.6300	0.580	2	119.6300	0.336	2	119.6300	0.336	2	123.2297	9.162	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	122.9070	0.000	1	122.9070	0.000	1	125.0295	2.200	4	123.2297	9.162	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	125.7370	0.545	3	125.7370	0.297	3	125.0295	2.200	4	123.2297	9.162	6	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCCH){1|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	118.4480	0.000	1	118.4480	0.000	1	118.4480	0.000	1	122.9155	6.020	8	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>}	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	120.2830	0.000	1	120.2830	0.000	1	120.2830	0.000	1	122.9155	6.020	8	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	122.8485	1.419	2	122.8485	2.014	2	124.0988	1.370	6	122.9155	6.020	8	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	C(C[5a]N[5a]2)(CH3)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(CH3)(NCH)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	124.7240	0.219	4	124.7240	0.048	4	124.0988	1.370	6	122.9155	6.020	8	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CCCH){3|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	120.2955	1.648	2	120.2955	2.717	2	120.2955	2.717	2	124.6699	9.958	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	125.8200	0.304	3	125.8200	0.093	3	126.4196	0.863	5	124.6699	9.958	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S-4:C-4:H-1:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	127.3190	0.755	2	127.3190	0.570	2	126.4196	0.863	5	124.6699	9.958	7	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:F-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCF)	C(C[5a]C[5a]N[5a])(CF3)2(F)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCF){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CF3)2(F)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	120.8014	1.956	7	120.8014	3.826	7	120.8014	3.826	7	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	118.6050	0.000	1	118.6050	0.000	1	118.6050	0.000	1	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>,1|H<1>}	121.2590	0.000	1	121.2590	0.000	1	119.4280	6.705	2	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCCH){1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	117.5970	0.000	1	117.5970	0.000	1	119.4280	6.705	2	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CCCH){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Br<1>,1|H<1>}	120.0450	0.000	1	120.0450	0.000	1	120.7603	1.315	13	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	121.0589	1.304	7	120.8170	1.691	10	120.7603	1.315	13	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	120.2527	1.352	3	120.8170	1.691	10	120.7603	1.315	13	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	120.8345	0.088	2	120.8345	0.008	2	120.7603	1.315	13	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]N[5a,6a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]N[5a,6a])(CCCH){1|C<4>,1|N<2>,2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	119.0700	0.000	1	119.0700	0.000	1	119.3233	0.152	3	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH){1|N<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	119.4500	0.455	2	119.4500	0.207	2	119.3233	0.152	3	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	120.6370	0.347	3	120.6628	0.168	5	120.6628	0.168	5	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	120.7015	0.651	2	120.6628	0.168	5	120.6628	0.168	5	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH){2|C<3>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	122.7210	0.000	1	122.7210	0.000	1	124.4565	6.024	2	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|F<1>,3|C<3>}	126.1920	0.000	1	126.1920	0.000	1	124.4565	6.024	2	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	125.0900	0.000	1	125.0900	0.000	1	125.5073	1.205	7	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(CCCH){1|H<1>,1|P<3>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Co<5>,1|P<3>}	124.2390	0.000	1	124.2390	0.000	1	125.5073	1.205	7	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|C<3>,1|C<4>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	125.9710	0.785	3	125.9710	0.617	3	125.5073	1.205	7	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C){2|H<1>}	126.9820	0.000	1	126.9820	0.000	1	125.5073	1.205	7	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(CCCH){2|H<1>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Ni<4>,1|H<1>}	124.3270	0.000	1	124.3270	0.000	1	125.5073	1.205	7	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH){1|H<1>,1|O<1>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	123.8300	0.000	1	123.8300	0.000	1	124.4073	1.343	4	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCCH)	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCCH){1|C<3>,1|O<1>}	C(C[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	124.5997	1.339	3	124.5997	1.793	3	124.4073	1.343	4	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N-4:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHN)	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHN){2|H<1>}	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	125.7735	1.005	2	125.7735	1.010	2	125.7735	1.010	2	121.9756	6.661	46	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:2:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:N-2:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN){1|C<4>}	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.2240	0.000	1	121.2240	0.000	1	122.0130	1.245	2	122.6912	1.491	5	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:2:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:N-2:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN)	C(C[5a]C[5a]N[5a])(CH3)2(NN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)2(NN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	122.8020	0.000	1	122.8020	0.000	1	122.0130	1.245	2	122.6912	1.491	5	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:2:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:O-2:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO)	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO){1|C<4>}	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	124.1320	0.000	1	124.1320	0.000	1	123.1433	1.592	3	122.6912	1.491	5	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:2:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:O-2:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO)	C(C[5a]C[5a]N[5a])(CH3)2(OH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)2(OH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>}	122.6490	1.311	2	122.6490	1.719	2	123.1433	1.592	3	122.6912	1.491	5	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:2:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:O-2:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO)	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO){2|C<3>,2|H<1>}	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:3:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:N-3:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	C(C[5a]N[5a]2)(CH3)2(NHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	C(C[5a]N[5a]2)(CH3)2(NHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>}	125.9650	0.000	1	125.9650	0.000	1	125.9650	0.000	1	125.9650	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:O[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC3){1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	123.4893	7.322	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3){1|B<5>,4|B<6>}	C(C[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|B<6>}	121.5520	0.000	1	121.5520	0.000	1	124.0665	12.645	2	123.4893	7.322	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CC3)(CH3)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CC3)(CH3)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>}	126.5810	0.000	1	126.5810	0.000	1	124.0665	12.645	2	123.4893	7.322	3	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3){1|N<3>,3|C<3>}	C(C[5a]C[5a,6]N[5a])(CH3)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,3|C<3>}	117.4540	0.508	2	117.4540	0.258	2	119.8130	1.891	16	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[5a]C[5a,6]N[5a])(CH3)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,3|C<3>}	120.2710	0.000	1	120.1500	1.183	14	119.8130	1.891	16	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(CH3)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	119.2982	1.133	6	120.1500	1.183	14	119.8130	1.891	16	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6]N[5a])(CH3)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[5a]C[5a,6]N[5a])(CH3)3	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	120.8629	0.415	7	120.1500	1.183	14	119.8130	1.891	16	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N){1|C<3>,1|N<2>}	117.6385	1.121	2	117.6547	0.629	3	117.6547	0.629	3	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|N<2>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N){1|C<3>,1|N<2>}	117.6870	0.000	1	117.6547	0.629	3	117.6547	0.629	3	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|H<1>,1|N<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	120.2080	0.000	1	117.7257	2.683	7	117.7257	2.683	7	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	119.9400	0.000	1	117.7257	2.683	7	117.7257	2.683	7	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(CH3)3	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	116.7864	0.395	5	117.7257	2.683	7	117.7257	2.683	7	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	120.9285	0.202	2	120.9285	0.041	2	120.9285	0.041	2	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	130.5460	0.000	2	130.5460	0.000	2	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|H<1>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){2|H<1>}	120.1775	0.067	2	120.1775	0.005	2	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|P<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>,1|H<1>}	121.3483	0.679	8	121.3483	0.461	8	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|S<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<4>,1|H<1>}	120.5840	0.091	2	120.5840	0.008	2	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|Ir<8>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]C){1|C<4>,1|H<1>}	120.8830	0.000	1	120.8830	0.000	1	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3){1|C<3>,1|N<2>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|N<3>}	118.9900	0.000	1	118.9900	0.000	1	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]O[5a]N[6])(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]O[5a]N[6])(N[5a]C[5a])(CC3){3|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|N<3>}	119.4290	0.000	1	119.4290	0.000	1	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<4>}	116.9590	2.085	3	116.3207	3.160	7	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	117.2530	0.157	2	116.3207	3.160	7	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<4>}	114.4310	0.379	2	116.3207	3.160	7	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<4>,2|C<3>}	118.4260	0.000	1	118.4260	0.000	1	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3){1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	116.9010	0.000	1	116.9010	0.000	1	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3){1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>}	118.9825	1.189	4	118.9825	1.414	4	119.9402	13.006	30	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<2>,1|H<1>}	124.4750	0.000	1	124.4750	0.000	1	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	122.0740	0.000	1	121.2274	0.381	10	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	121.0810	0.000	1	121.2274	0.381	10	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	121.1399	0.612	8	121.2274	0.381	10	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	121.1623	1.045	4	120.5025	1.167	21	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	121.1990	0.000	1	120.5025	1.167	21	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	120.7580	1.403	2	120.5025	1.167	21	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	120.7130	0.205	3	120.5025	1.167	21	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){2|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.0954	1.170	11	120.5025	1.167	21	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	119.6834	0.403	8	119.6834	0.162	8	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|P<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	121.2370	0.226	2	121.2370	0.051	2	120.6486	1.330	42	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	120.8110	0.000	1	120.8110	0.000	1	119.2620	0.914	5	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.8500	0.000	1	118.8500	0.000	1	119.2620	0.914	5	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	118.5770	0.310	2	118.5770	0.096	2	119.2620	0.914	5	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.4950	0.000	1	119.4950	0.000	1	119.2620	0.914	5	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	116.3450	0.000	1	118.1170	2.623	3	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	119.0030	0.733	2	118.1170	2.623	3	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	120.4000	0.938	2	120.3515	0.343	21	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	120.3464	0.576	19	120.3515	0.343	21	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|Ir<6>,1|C<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]Ir)(C[5a]C[5a]C){1|C<3>,1|H<1>}	120.5030	0.000	1	120.5030	0.000	1	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|Pd<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,1|H<1>}	121.5360	0.000	1	121.1048	0.101	5	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|Pd<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C){2|H<1>}	120.9970	0.240	4	121.1048	0.101	5	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|N<2>}	120.7890	0.000	1	120.2425	0.597	2	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|N<2>,2|N<3>}	119.6960	0.000	1	120.2425	0.597	2	120.2577	0.990	32	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3)	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3){1|Cl<1>,3|C<3>}	C(C[5a]N[5a]2)(CH3)3	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C){1|Cl<1>,3|C<3>}	120.1370	0.000	1	120.1370	0.000	1	120.1370	0.000	1	120.0454	4.270	139	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	120.7950	3.660	2	120.7950	13.395	2	120.7950	13.395	2	120.7950	13.395	2	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:2:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:O[5a]-2:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a]){1|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	120.1940	5.400	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:2:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	123.5010	0.000	1	123.5010	0.000	1	123.5010	0.000	1	120.1940	5.400	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:2:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	119.0605	1.269	2	119.0605	1.611	2	119.0605	1.611	2	120.1940	5.400	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:2:	3:3:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	116.5375	0.035	2	116.5375	0.001	2	116.5375	0.001	2	120.2515	19.070	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:2:	3:3:	C-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	123.9655	1.426	2	123.9655	2.034	2	123.9655	2.034	2	120.2515	19.070	4	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:3:	3:2:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:N[5a]-2:	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(N[6]C[6]2)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>}	119.1870	0.000	1	119.1870	0.000	1	119.1870	0.000	1	119.1870	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059
727	490	519	0:SP2_SP2_SP3	C[5a]	C	N[5a]	4:3:2:	3:3:3:3:	3:3:	C-4:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5a]-3:	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	122.0501	8.904	3059	122.0501	8.904	3059