813	466	813	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.7215	2.104	2	116.7215	4.425	2	116.7215	4.425	2	116.7215	4.425	2	117.6781	2.042	8	117.6781	2.042	8
813	466	813	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|O<1>,4|C<3>}	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.6781	2.042	8	117.6781	2.042	8
813	466	813	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	117.6781	2.042	8	117.6781	2.042	8
813	466	813	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|C<4>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.8085	0.142	2	118.4707	0.352	3	118.4707	0.352	3	118.4707	0.352	3	117.6781	2.042	8	117.6781	2.042	8
813	466	813	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	117.7950	0.000	1	118.4707	0.352	3	118.4707	0.352	3	118.4707	0.352	3	117.6781	2.042	8	117.6781	2.042	8
813	466	813	0:SP2_SP2_SP3	N[5a]	C[6]	N[5a]	4:3:3:	4:4:3:1:	3:3:4:	C[6]-4:C[5a]-3:N[5a]-3:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|H<1>,1|O<1>,3|C<4>}	119.3510	0.000	1	119.3510	0.000	1	119.3510	0.000	1	119.3510	0.000	1	117.6781	2.042	8	117.6781	2.042	8
813	466	813	0:SP3_SP3_SP3	N[5a]	C[6]	N[5a]	3:3:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:C[6]-3:C[6]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.2010	0.055	2	116.2010	0.003	2	116.2010	0.003	2	116.2010	0.003	2	117.4173	2.876	11	117.4173	2.876	11
813	466	813	0:SP3_SP3_SP3	N[5a]	C[6]	N[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.1200	0.000	1	119.1200	0.000	1	119.1200	0.000	1	119.1200	0.000	1	117.4173	2.876	11	117.4173	2.876	11
813	466	813	0:SP3_SP3_SP3	N[5a]	C[6]	N[5a]	3:3:4:	3:4:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	117.4173	2.876	11	117.4173	2.876	11
813	466	813	0:SP3_SP3_SP3	N[5a]	C[6]	N[5a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.2417	2.050	6	117.2417	4.203	6	117.2417	4.203	6	117.2417	4.203	6	117.4173	2.876	11	117.4173	2.876	11
813	466	813	0:SP3_SP3_SP3	N[5a]	C[6]	N[5a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	117.4173	2.876	11	117.4173	2.876	11
813	466	813	6:SP2_SP2_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]C)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.3870	0.000	1	111.3870	0.000	1	111.0885	0.178	2	111.0885	0.178	2	111.0885	0.178	2	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.7900	0.000	1	110.7900	0.000	1	111.0885	0.178	2	111.0885	0.178	2	111.0885	0.178	2	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6,6]	C[4x6]	N[5a,6,6]	4:3:3:	3:4:3:3:	4:3:3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	111.9080	0.572	2	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6,6]	C[4x6]	N[5a,6,6]	4:3:3:	3:4:3:4:	4:3:3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	111.3730	0.000	1	111.3730	0.000	1	111.3730	0.000	1	111.3730	0.000	1	111.9080	0.572	2	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6]	C[6,6]	N[5a,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>}	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>}	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	116.9604	4.432	7	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.9604	4.432	7	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:4:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	116.9604	4.432	7	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2{1|O<1>,2|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	116.9604	4.432	7	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:4:2:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	117.5740	2.458	2	117.5740	6.041	2	117.5740	6.041	2	117.5740	6.041	2	116.9604	4.432	7	115.2941	10.679	12
813	466	813	6:SP2_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:4:3:	3:3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	116.9604	4.432	7	115.2941	10.679	12
813	466	813	6:SP2_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	115.5600	12.889	4
813	466	813	6:SP2_SP3_SP3	N[5a,6]	C[6,6]	N[5a,6]	3:4:3:	3:4:4:1:	3:3:3:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O){1|C<3>,1|H<1>,1|O<1>,2|N<2>,3|C<4>}	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	115.5600	12.889	4
813	466	813	6:SP2_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	116.1130	0.000	1	116.1130	0.000	1	115.3235	1.247	2	115.3235	1.247	2	115.3235	1.247	2	115.5600	12.889	4
813	466	813	6:SP2_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	114.5340	0.000	1	114.5340	0.000	1	115.3235	1.247	2	115.3235	1.247	2	115.3235	1.247	2	115.5600	12.889	4
813	466	813	6:SP3_SP2_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	114.4832	4.711	4
813	466	813	6:SP3_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	115.5297	0.497	3	114.4832	4.711	4
813	466	813	6:SP3_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:4:4:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	115.5297	0.497	3	114.4832	4.711	4
813	466	813	6:SP3_SP2_SP3	N[5a,6]	C[6]	N[5a,6]	3:4:3:	3:3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	115.1560	0.000	1	115.1560	0.000	1	115.1560	0.000	1	115.1560	0.000	1	115.5297	0.497	3	114.4832	4.711	4
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,4|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	113.3390	0.000	1	113.3390	0.000	1	113.1240	0.092	2	113.1240	0.092	2	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,4|C<4>}	112.9090	0.000	1	112.9090	0.000	1	113.1240	0.092	2	113.1240	0.092	2	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.7335	1.125	2	111.7335	1.266	2	111.7038	0.379	5	111.5154	1.606	7	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	112.0740	0.000	1	112.0740	0.000	1	111.7038	0.379	5	111.5154	1.606	7	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	111.4890	0.136	2	111.4890	0.018	2	111.7038	0.379	5	111.5154	1.606	7	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	111.5154	1.606	7	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	111.5154	1.606	7	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	3:4:3:4:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	C[3,5,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.4950	0.111	2	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[3x6]	N[5a,6,6]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	C[3,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[5a,6,6](C[3x6]C[3,5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.4950	0.111	2	111.6905	1.437	12	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[4x6]	N[5a,6,6]	4:3:3:	3:4:3:3:	4:3:3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	112.4930	1.365	2	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6,6]	C[4x6]	N[5a,6,6]	4:3:3:	3:4:3:4:	4:3:3:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	112.4930	1.365	2	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6,6]	N[5a,6]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	114.2018	9.882	4	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6,6]	N[5a,6]	4:3:3:	3:3:4:1:	3:4:3:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a,6,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O)	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	114.2018	9.882	4	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6,6]	N[5a,6]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:C[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	115.5950	0.000	1	115.5950	0.000	1	115.5950	0.000	1	115.5950	0.000	1	114.2018	9.882	4	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6,6]	N[5a,6]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	114.2018	9.882	4	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	119.1570	0.000	1	119.1570	0.000	1	119.1570	0.000	1	115.7910	9.042	3	115.9158	5.194	11	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	114.8460	0.000	1	114.1080	1.089	2	114.1080	1.089	2	115.7910	9.042	3	115.9158	5.194	11	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	113.3700	0.000	1	114.1080	1.089	2	114.1080	1.089	2	115.7910	9.042	3	115.9158	5.194	11	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:N-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.7760	0.000	1	116.7760	0.000	1	116.7760	0.000	1	116.7760	0.000	1	115.9158	5.194	11	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:4:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.5100	3.405	2	116.5100	11.597	2	115.9537	6.727	3	115.9537	6.727	3	115.9158	5.194	11	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:3:4:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	114.8410	0.000	1	114.8410	0.000	1	115.9537	6.727	3	115.9537	6.727	3	115.9158	5.194	11	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	114.9475	0.575	2	114.9475	0.330	2	114.9475	0.330	2	114.9475	0.330	2	115.9158	5.194	11	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:3:4:	3:4:1:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	115.9158	5.194	11	113.6949	7.327	29
813	466	813	6:SP3_SP3_SP3	N[5a,6]	C[6]	N[5a,6]	3:4:3:	3:3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	115.9158	5.194	11	113.6949	7.327	29
813	474	519	0:SP2_SP2_SP3	N[5,5a,6]	C[5,5,6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	N[5,5a,6]-3:N[5a]-2:	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[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	N[5a](N[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a])	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>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](N[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]){2|H<1>,3|C<4>}	135.7760	0.000	1	135.7760	0.000	1	137.0385	3.188	2	137.0385	3.188	2	137.0385	3.188	2	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a,6]	C[5,5,6]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	N[5,5a,6]-3:N[5a]-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])	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	N[5a](N[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a])	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>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,2|C<3>,2|N<2>}	N[5a](N[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]){1|H<1>,3|C<4>}	138.3010	0.000	1	138.3010	0.000	1	137.0385	3.188	2	137.0385	3.188	2	137.0385	3.188	2	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5,5a]-3:N[5a]-2:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5])	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.9220	0.105	2	130.9220	0.011	2	130.9220	0.011	2	130.9220	0.011	2	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:3:1:1:	3:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:H-1:H-1:	N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a]){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){2|H<1>,3|C<3>}	132.2740	0.487	4	132.2740	0.237	4	132.2740	0.237	4	132.2740	0.237	4	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]O){2|H<1>,3|C<3>}	130.6550	0.000	1	130.6550	0.000	1	130.6550	0.000	1	130.6550	0.000	1	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:3:3:2:	3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[6a]-3:C[5]-3:O-2:	N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a]){4|C<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a]){1|O<2>,1|S<2>,4|C<3>}	129.4660	0.030	2	129.4660	0.001	2	129.4660	0.001	2	129.4660	0.001	2	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:3:3:3:	3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a]){1|N<2>,6|C<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N){4|H<1>,6|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|O<2>,4|C<3>}	133.6890	0.000	1	133.6890	0.000	1	133.6890	0.000	1	133.6890	0.000	1	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:3:3:4:	3:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a]){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){1|C<4>,4|C<3>}	130.8145	0.702	2	130.8145	0.493	2	130.8145	0.493	2	130.8145	0.493	2	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	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>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){2|C<4>,3|H<1>}	131.2500	0.000	1	131.2500	0.000	1	133.9298	9.827	4	133.9298	9.827	4	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	131.2000	0.000	1	131.2000	0.000	1	133.9298	9.827	4	133.9298	9.827	4	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]N[5a])	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){1|N<2>,2|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{3|N<2>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>}	136.3040	0.000	1	136.6345	0.218	2	133.9298	9.827	4	133.9298	9.827	4	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:4:1:1:	3:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]N[5a])	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){3|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>}	136.9650	0.000	1	136.6345	0.218	2	133.9298	9.827	4	133.9298	9.827	4	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	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>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|S<4>,2|C<4>,2|H<1>}	129.2450	0.000	1	129.2450	0.000	1	129.9561	0.269	21	129.8118	0.715	22	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	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>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	130.0547	0.431	19	130.0547	0.186	19	129.9561	0.269	21	129.8118	0.715	22	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{3|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	128.7950	0.000	1	128.7950	0.000	1	129.9561	0.269	21	129.8118	0.715	22	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	3:4:2:	3:4:1:1:	3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:S[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	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>}	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2{2|C<3>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	126.7810	0.000	1	126.7810	0.000	1	126.7810	0.000	1	129.8118	0.715	22	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5,5a]	C[5]	N[5a]	4:3:2:	3:3:3:4:	3:2:	C[5]-4:C[5,5a]-3:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C[3]-4:	N[5,5a]-3:N[5a]-2:	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C)	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a]){3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C){1|N<2>,5|C<3>,7|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){1|C<4>,4|C<3>}	132.5700	0.000	1	132.5700	0.000	1	132.5700	0.000	1	132.5700	0.000	1	130.7691	3.424	39	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	N[5a]	4:3:2:	3:4:4:2:	3:2:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5,5]-4:C[6]-4:O[5]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5])	N[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){2|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<4>}	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	121.4843	0.690	3	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	N[5a]	4:3:2:	3:4:4:4:	3:3:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	N[5a,6]-3:C[5a]-3:	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3)	N[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C)	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C){1|C<3>,4|C<4>}	121.0050	0.028	2	121.0050	0.001	2	121.0050	0.001	2	121.0050	0.001	2	121.4843	0.690	3	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5,5]	N[5a]	4:2:2:	4:3:4:3:	3:3:	C[5,5]-4:N[5a]-2:N[5a]-2:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a])	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|H<1>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	120.2450	0.000	1	120.2450	0.000	1	121.8300	7.344	4	121.8300	7.344	4	121.8300	7.344	4	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5,5]	N[5a]	4:2:2:	4:3:4:3:	3:3:	C[5,5]-4:N[5a]-2:N[5a]-2:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H)	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|H<1>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	123.7040	0.000	1	123.7040	0.000	1	121.8300	7.344	4	121.8300	7.344	4	121.8300	7.344	4	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5,5]	N[5a]	4:2:2:	4:3:4:3:	3:3:	C[5,5]-4:N[5a]-2:N[5a]-2:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O)	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a])	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,3|C<3>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	118.8600	0.000	1	118.8600	0.000	1	121.8300	7.344	4	121.8300	7.344	4	121.8300	7.344	4	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5,5]	N[5a]	4:2:2:	4:3:4:3:	3:3:	C[5,5]-4:N[5a]-2:N[5a]-2:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O)	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H)	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,3|C<3>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	124.5110	0.000	1	124.5110	0.000	1	121.8300	7.344	4	121.8300	7.344	4	121.8300	7.344	4	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5,6]	N[5a]	4:3:2:	4:3:2:1:	3:3:	C[5,6]-4:C[5a,6a]-3:N[5a]-2:	C[5,5,6]-4:N[5a]-3:O[5,6]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H)	N[5a](N[5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.6495	1.071	2	120.6495	1.148	2	120.6495	1.148	2	120.6495	1.148	2	120.6495	1.148	2	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:3:3:3:	3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH)	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:3:4:1:	3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|N<3>,2|C<4>,2|H<1>,2|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	117.7620	0.000	1	117.7620	0.000	1	120.5753	6.188	3	120.5753	6.188	3	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.9820	0.710	2	121.9820	0.504	2	120.5753	6.188	3	120.5753	6.188	3	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.6410	0.000	1	119.6410	0.000	1	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5940	0.000	1	120.5940	0.000	1	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.4750	0.000	1	120.4750	0.000	1	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.4985	1.378	2	120.4985	1.899	2	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.7120	0.000	1	120.7120	0.000	1	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	121.1178	0.372	4	121.1178	0.138	4	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	121.1720	0.000	1	121.1720	0.000	1	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.4680	0.000	1	120.4680	0.000	1	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	123.0337	0.302	3	123.0337	0.091	3	121.1754	1.263	15	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.0800	0.000	1	116.0800	0.000	1	117.3030	1.094	4	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5])	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.1350	0.455	2	118.1350	0.207	2	117.3030	1.094	4	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:2:1:	3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.8620	0.000	1	116.8620	0.000	1	117.3030	1.094	4	120.3602	3.796	19	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:3:3:	3:2:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-3:C-3:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a]){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a]){2|C<4>,6|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H){1|S<4>,2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	120.2470	0.000	1	120.2470	0.000	1	118.9890	1.053	5	118.9890	1.053	5	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	118.6745	0.863	4	118.6745	0.744	4	118.9890	1.053	5	118.9890	1.053	5	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	3:4:2:	3:4:4:2:	3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:O[5]-2:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,1|S<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>}	119.5650	0.000	1	119.5650	0.000	1	119.5650	0.000	1	119.5650	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:2:2:	3:4:3:1:	3:3:	C[5]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2{1|C<4>,2|C<3>,4|H<1>}	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.2960	0.000	1	123.2960	0.000	1	123.2960	0.000	1	121.4795	6.599	2	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:2:2:	3:4:3:1:	3:3:	C[5]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[5]-4:N[5]-3:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2{1|C<4>,2|C<3>,4|H<1>}	C[5](N[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.6630	0.000	1	119.6630	0.000	1	119.6630	0.000	1	121.4795	6.599	2	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:2:2:	4:3:3:1:	3:3:	C[5]-4:N[5a]-2:N[5a]-2:	C[5,5]-4:N[5a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	123.5590	0.000	1	123.5590	0.000	1	123.5590	0.000	1	121.5515	8.060	2	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:2:2:	4:3:3:1:	3:3:	C[5]-4:N[5a]-2:N[5a]-2:	C[5,5]-4:N[5a]-3:C[5]-3:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H)	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[5](C[5,5]C[5]N[5]O[5])(N[5a]N[5a]2)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	121.5515	8.060	2	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:3:3:3:	3:2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	N[5a]-3:N[5a]-2:	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|H<1>,4|C<3>}	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:3:3:3:	3:3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	120.9480	0.000	1	120.9480	0.000	1	120.1945	1.136	2	119.7277	1.222	3	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:3:3:3:	3:3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	119.4410	0.000	1	119.4410	0.000	1	120.1945	1.136	2	119.7277	1.222	3	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:3:3:3:	3:3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O){2|H<1>,3|C<3>}	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	119.7277	1.222	3	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:3:3:4:	3:3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O){1|C<4>,2|C<3>,2|H<1>}	119.9930	0.839	2	119.9930	0.703	2	119.9930	0.703	2	119.9930	0.703	2	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:3:4:3:	3:3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O){4|C<3>,6|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.5735	0.771	2	119.5735	0.595	2	119.5735	0.595	2	119.5735	0.595	2	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:3:4:4:	3:2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3){2|H<1>,2|N<2>,5|C<3>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:4:2:1:	3:2:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6582	1.882	4	120.6582	3.542	4	120.9722	3.149	5	120.9722	3.149	5	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:4:2:1:	3:2:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>}	122.2280	0.000	1	122.2280	0.000	1	120.9722	3.149	5	120.9722	3.149	5	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:4:2:1:	3:3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.8960	0.000	1	117.8960	0.000	1	120.0565	5.426	4	120.0565	5.426	4	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	3:4:2:1:	3:3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|C<4>,1|O<2>,2|H<1>}	120.7767	2.242	3	120.7767	5.028	3	120.0565	5.426	4	120.0565	5.426	4	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	4:3:2:1:	3:2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	4:3:2:1:	3:3:	C[5]-4:C[5a]-3:N[5a]-2:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7873	0.473	3	120.7873	0.224	3	120.7873	0.224	3	120.7873	0.224	3	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	4:3:3:1:	3:2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,2|N<2>,4|C<3>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	519	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:2:	4:3:4:1:	3:2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H)	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	120.1775	2.984	60	124.3436	31.055	110
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	128.5390	0.000	1	128.5390	0.000	1	128.3690	0.058	2	128.3690	0.058	2	126.2163	5.765	6	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	128.1990	0.000	1	128.1990	0.000	1	128.3690	0.058	2	128.3690	0.058	2	126.2163	5.765	6	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<4>}	128.4440	0.000	1	128.4440	0.000	1	128.4440	0.000	1	125.5217	6.559	3	126.2163	5.765	6	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>}	124.0605	0.555	2	124.0605	0.308	2	124.0605	0.308	2	125.5217	6.559	3	126.2163	5.765	6	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[6a,6a]-3:N[5,6a]-3:O-1:	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[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,5])(O)	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>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,5])(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	123.9950	0.000	1	123.9950	0.000	1	123.9950	0.000	1	123.9950	0.000	1	126.2163	5.765	6	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5,6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6]-4:C[6]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,6])(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,6|C<3>}	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,3|C<3>,3|H<1>}	128.4270	0.000	1	128.4270	0.000	1	128.4270	0.000	1	128.1540	0.149	2	128.1540	0.149	2	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2	C[6a,6a](N[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2{4|C<3>}	C[6a,6a](N[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	127.8810	0.000	1	127.8810	0.000	1	127.8810	0.000	1	128.1540	0.149	2	128.1540	0.149	2	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.4335	0.149	2	121.4335	0.022	2	121.4335	0.022	2	121.4335	0.022	2	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){2|H<1>,6|C<3>}	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	122.0990	3.618	2	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	123.4440	0.000	1	123.4440	0.000	1	123.4440	0.000	1	122.0990	3.618	2	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	123.1850	0.000	1	123.1850	0.000	1	123.1850	0.000	1	123.8467	0.351	3	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|H<1>,1|O<2>,6|C<3>}	124.1775	0.214	2	124.1775	0.046	2	124.1775	0.046	2	123.8467	0.351	3	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	123.9250	0.000	1	123.9250	0.000	1	123.9250	0.000	1	124.2457	0.077	3	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.4090	0.000	1	124.4090	0.000	1	124.4060	0.000	2	124.2457	0.077	3	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.4030	0.000	1	124.4030	0.000	1	124.4060	0.000	2	124.2457	0.077	3	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:N[5]-3:C-4:O-2:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC){2|C<3>,2|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|N<3>,1|O<2>,2|C<4>,4|C<3>}	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC){1|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,2|C<4>,5|C<3>}	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	124.4260	0.335	3	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:C-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	124.1250	0.000	1	124.6090	0.469	2	124.6090	0.469	2	124.4260	0.335	3	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:C-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|C<4>}	125.0930	0.000	1	124.6090	0.469	2	124.6090	0.469	2	124.4260	0.335	3	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O){1|C<4>,2|H<1>,5|C<3>}	125.5810	0.109	4	125.5638	0.010	5	125.7293	0.393	11	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,4|C<3>}	125.4950	0.000	1	125.5638	0.010	5	125.7293	0.393	11	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.9197	0.482	3	125.9387	0.156	4	125.7293	0.393	11	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	125.9960	0.000	1	125.9387	0.156	4	125.7293	0.393	11	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	126.9710	0.000	1	126.9710	0.000	1	125.7293	0.393	11	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.4770	0.000	1	124.4770	0.000	1	125.7293	0.393	11	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	123.7002	0.196	4	123.7002	0.038	4	123.4086	0.454	5	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>,3|C<4>}	122.2420	0.000	1	122.2420	0.000	1	123.4086	0.454	5	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	122.6780	0.000	1	122.6780	0.000	1	122.6780	0.000	1	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|Cu<5>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Cu<5>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.4830	0.000	1	124.4410	1.836	2	123.5331	0.827	9	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	125.3990	0.000	1	124.4410	1.836	2	123.5331	0.827	9	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	122.0010	0.000	1	122.0010	0.000	1	123.5331	0.827	9	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{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])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	123.3735	0.182	2	123.4858	0.155	6	123.5331	0.827	9	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	123.5370	0.000	1	123.4858	0.155	6	123.5331	0.827	9	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	124.1980	0.000	1	123.4858	0.155	6	123.5331	0.827	9	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	123.0430	0.000	1	123.4858	0.155	6	123.5331	0.827	9	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	123.3900	0.000	1	123.4858	0.155	6	123.5331	0.827	9	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<3>,2|H<1>,3|C<4>}	122.8230	0.000	1	122.8230	0.000	1	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O){1|C<3>,2|C<4>,2|H<1>}	122.9780	0.000	1	122.9780	0.000	1	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9340	0.000	1	122.7920	1.472	2	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.6500	0.000	1	122.7920	1.472	2	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.9052	0.641	4	120.9052	0.411	4	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	122.7970	0.000	1	122.7970	0.000	1	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	125.0245	0.163	2	125.0245	0.027	2	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	121.9880	0.000	1	121.9880	0.000	1	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	121.0150	0.016	2	121.0150	0.000	2	122.2764	2.324	14	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	123.4210	0.000	1	123.4210	0.000	1	123.4210	0.000	1	123.6544	2.949	41	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:O-2:H-1:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	124.6570	0.000	1	124.6570	0.000	1	124.6570	0.000	1	124.6570	0.000	1	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-3:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	120.7373	0.614	4	120.7373	0.377	4	120.1176	0.951	7	120.1176	0.951	7	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-3:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<2>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.0620	0.000	1	119.2913	0.496	3	120.1176	0.951	7	120.1176	0.951	7	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-3:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){2|C<3>,2|O<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	118.6810	0.000	1	119.2913	0.496	3	120.1176	0.951	7	120.1176	0.951	7	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-3:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.1310	0.000	1	119.2913	0.496	3	120.1176	0.951	7	120.1176	0.951	7	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH){1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	121.9465	0.085	2	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-4:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H){1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.1530	0.000	1	122.1530	0.000	1	122.1530	0.000	1	121.9465	0.085	2	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-4:H-1:	N[5,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	129.1840	0.000	1	129.1840	0.000	1	129.1840	0.000	1	129.1840	0.000	1	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[6,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	122.5430	0.000	1	122.5430	0.000	1	122.5430	0.000	1	122.3674	0.193	5	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|H<1>}	122.8900	0.000	1	122.3235	0.245	4	122.3235	0.245	4	122.3674	0.193	5	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|H<1>}	122.1347	0.392	3	122.3235	0.245	4	122.3235	0.245	4	122.3674	0.193	5	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	121.1270	0.000	1	121.1270	0.000	1	121.1270	0.000	1	124.2453	2.135	12	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	125.2590	0.000	1	124.8163	0.202	6	124.8163	0.202	6	124.2453	2.135	12	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	124.8595	0.379	4	124.8163	0.202	6	124.8163	0.202	6	124.2453	2.135	12	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	124.2010	0.000	1	124.8163	0.202	6	124.8163	0.202	6	124.2453	2.135	12	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	124.7420	0.088	2	125.0863	0.360	3	125.0863	0.360	3	124.2453	2.135	12	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<3>,1|O<1>,5|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	125.7750	0.000	1	125.0863	0.360	3	125.0863	0.360	3	124.2453	2.135	12	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<3>,2|H<1>,4|C<3>}	122.8300	1.986	2	122.8300	3.942	2	122.8300	3.942	2	124.2453	2.135	12	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Pd<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	121.9260	0.331	2	121.9260	0.110	2	121.8116	8.972	10	121.8116	8.972	10	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Rh<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	121.7830	3.393	8	121.7830	11.515	8	121.8116	8.972	10	121.8116	8.972	10	123.1965	4.342	94	123.4494	5.235	103
813	474	643	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	N[5,6a]-3:N[6a]-3:O-1:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	123.6110	0.000	1	123.6110	0.000	1	123.6110	0.000	1	123.6110	0.000	1	123.1965	4.342	94	123.4494	5.235	103
813	474	727	0:SP2_SP2_SP3	N[5,5a,6]	C[5,5,6]	C[5a]	3:4:3:	3:4:4:1:	3:3:1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,5a,6]-3:N[5a]-3:O-1:	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	125.3160	0.000	1	125.3160	0.000	1	125.3160	0.000	1	125.3160	0.000	1	125.3160	0.000	1	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,5]	C[5a,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	N[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-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])	C[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H)	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	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>}	C[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H){1|C<4>,8|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	136.6270	0.000	1	136.6270	0.000	1	136.6270	0.000	1	136.6270	0.000	1	136.6270	0.000	1	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,5]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	136.1847	0.328	3	136.1847	0.108	3	136.1847	0.108	3	136.1847	0.108	3	136.1847	0.108	3	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|H<1>,3|C<3>,4|C<4>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	137.2430	0.000	1	137.2430	0.000	1	137.2430	0.000	1	137.2430	0.000	1	136.9550	10.379	3	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5,5a]-3:	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6])	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a]){9|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){10|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6]){1|H<1>,8|C<3>}	140.0230	0.000	1	140.0230	0.000	1	140.0230	0.000	1	140.0230	0.000	1	136.9550	10.379	3	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	133.5990	0.000	1	133.5990	0.000	1	133.5990	0.000	1	133.5990	0.000	1	136.9550	10.379	3	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,8|C<3>}	134.9290	0.000	1	134.9290	0.000	1	136.3920	4.281	2	136.3920	4.281	2	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,7|C<3>}	137.8550	0.000	1	137.8550	0.000	1	136.3920	4.281	2	136.3920	4.281	2	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|S<2>,2|C<4>,4|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	137.9950	0.000	1	137.9950	0.000	1	137.5840	0.338	2	137.5918	0.163	6	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|N<2>,2|C<4>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	137.1730	0.000	1	137.1730	0.000	1	137.5840	0.338	2	137.5918	0.163	6	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	137.7580	0.000	1	137.9115	0.047	2	137.5958	0.158	4	137.5918	0.163	6	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	138.0650	0.000	1	137.9115	0.047	2	137.5958	0.158	4	137.5918	0.163	6	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	137.2800	0.171	2	137.2800	0.029	2	137.5958	0.158	4	137.5918	0.163	6	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<1>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>,2|H<1>}	137.2600	0.000	1	136.5833	0.496	3	136.5833	0.496	3	131.3420	110.217	4	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>,2|H<1>}	136.2450	0.552	2	136.5833	0.496	3	136.5833	0.496	3	131.3420	110.217	4	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	4:3:3:	3:3:2:1:	3:3:1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	C[5a](N[5,5a]N[5,5a]C[5,6])(N[5a]C[5a]C)(O)	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5,5a]N[5,5a]C[5,6])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.6180	0.000	1	115.6180	0.000	1	115.6180	0.000	1	131.3420	110.217	4	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a]){9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6]){3|H<1>,3|N<2>,7|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	136.7990	0.000	1	136.7990	0.000	1	136.7990	0.000	1	136.7990	0.000	1	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	135.1650	0.000	1	135.1650	0.000	1	135.1650	0.000	1	135.1650	0.000	1	135.4048	33.417	14	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:2:1:	3:3:4:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:C[5,5a]-3:C[5]-4:	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](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[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)	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>}	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	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>}	131.5330	0.000	1	131.5330	0.000	1	131.5330	0.000	1	131.5330	0.000	1	139.3190	45.466	3	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5,5a]-3:C[5,6]-4:	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](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2	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)	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>}	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	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>}	143.2120	0.000	2	143.2120	0.000	2	143.2120	0.000	2	143.2120	0.000	2	139.3190	45.466	3	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	143.4680	0.000	2	143.4680	0.000	2	143.4680	0.000	2	143.4680	0.000	2	141.7843	1.702	6	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6]	3:3:4:	3:4:3:1:	3:3:4:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	N[5,5a]-3:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H)	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H){1|C<4>,3|C<3>}	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	140.9425	0.039	4	140.9425	0.001	4	140.9425	0.001	4	140.9425	0.001	4	141.7843	1.702	6	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:2:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:O[5]-2:C-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	136.8330	0.000	1	136.8330	0.000	1	136.8330	0.000	1	136.8330	0.000	1	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH){1|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	137.3500	0.000	1	137.3500	0.000	1	137.3500	0.000	1	135.8377	1.732	3	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2{1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	135.0815	0.185	2	135.0815	0.034	2	135.0815	0.034	2	135.8377	1.732	3	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|F<1>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	132.5820	0.239	2	132.5751	0.056	8	132.5751	0.056	8	132.5751	0.056	8	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	132.7830	0.123	2	132.5751	0.056	8	132.5751	0.056	8	132.5751	0.056	8	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	132.3870	0.000	1	132.5751	0.056	8	132.5751	0.056	8	132.5751	0.056	8	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	132.6340	0.000	1	132.5751	0.056	8	132.5751	0.056	8	132.5751	0.056	8	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	132.4250	0.383	2	132.5751	0.056	8	132.5751	0.056	8	132.5751	0.056	8	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){3|H<1>,6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	134.0100	0.632	5	134.0100	0.399	5	134.0100	0.399	5	134.0100	0.399	5	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	140.3710	0.000	1	140.3710	0.000	1	140.3710	0.000	1	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	135.8210	0.000	1	135.2785	0.328	8	135.3240	0.354	10	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	134.7450	0.000	1	135.2785	0.328	8	135.3240	0.354	10	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|C<4>,3|H<1>,6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	135.6220	0.000	1	135.2785	0.328	8	135.3240	0.354	10	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|C<4>,3|H<1>,6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	135.2638	0.710	4	135.2785	0.328	8	135.3240	0.354	10	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){4|H<1>,6|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	134.9850	0.000	1	135.2785	0.328	8	135.3240	0.354	10	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|N<3>,2|C<4>,3|H<1>,4|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>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	134.8710	0.000	1	134.8710	0.000	1	135.3240	0.354	10	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	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)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|N<3>,2|C<4>,3|H<1>,4|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>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	136.1410	0.000	1	136.1410	0.000	1	135.3240	0.354	10	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){5|C<3>,5|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	134.0930	0.000	1	134.0930	0.000	1	135.7413	2.412	8	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|Br<1>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	134.9680	0.000	1	134.8053	0.118	3	135.7413	2.412	8	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	135.0370	0.000	1	134.8053	0.118	3	135.7413	2.412	8	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){5|C<3>,5|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	134.4110	0.000	1	134.8053	0.118	3	135.7413	2.412	8	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	136.1477	0.407	3	136.1477	0.165	3	135.7413	2.412	8	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	138.9780	0.000	1	138.9780	0.000	1	135.7413	2.412	8	135.7653	2.402	19	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[3,5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	134.2730	0.000	1	134.2730	0.000	1	134.2730	0.000	1	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	134.2630	0.038	2	134.2630	0.001	2	135.4162	2.423	4	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	135.5830	0.000	1	135.5830	0.000	1	135.4162	2.423	4	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	137.5560	0.000	1	137.5560	0.000	1	135.4162	2.423	4	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	136.5990	0.659	3	136.3123	0.306	6	136.3123	0.306	6	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	136.0855	0.384	2	136.3123	0.306	6	136.3123	0.306	6	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){2|C<3>,3|C<4>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	135.9060	0.000	1	136.3123	0.306	6	136.3123	0.306	6	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	136.1890	0.000	1	136.1890	0.000	1	136.1170	3.130	9	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	135.3080	0.629	2	135.0230	0.442	3	136.1170	3.130	9	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	134.4530	0.000	1	135.0230	0.442	3	136.1170	3.130	9	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	135.3800	0.000	1	135.3800	0.000	1	136.1170	3.130	9	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	138.3770	0.000	1	138.3770	0.000	1	136.1170	3.130	9	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2{1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	139.7260	0.000	1	139.7260	0.000	1	136.1170	3.130	9	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	135.1560	0.195	2	135.1560	0.038	2	136.1170	3.130	9	135.9432	2.044	20	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:N-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	132.2190	0.000	1	132.2190	0.000	1	132.2190	0.000	1	132.2190	0.000	1	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]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){2|C<3>,2|O<2>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	137.9050	0.000	1	137.9050	0.000	1	137.9050	0.000	1	137.9050	0.000	1	135.2332	3.278	58	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:2:4:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:O[5]-2:C-4:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH){1|O<1>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	138.6820	0.000	1	138.6820	0.000	1	138.6820	0.000	1	138.6820	0.000	1	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,3|H<1>}	135.5610	0.000	1	135.5610	0.000	1	137.5697	3.112	3	137.5697	3.112	3	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|S<3>,3|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(H){2|C<3>,3|H<1>}	138.5740	0.416	2	138.5740	0.173	2	137.5697	3.112	3	137.5697	3.112	3	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){4|C<3>,5|H<1>}	137.0260	0.000	1	137.0260	0.000	1	137.0260	0.000	1	137.0260	0.000	1	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H){1|N<3>,3|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,5|C<3>}	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	136.5860	0.000	1	136.5860	0.000	1	135.4867	0.224	12	134.3764	16.231	13	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	135.4120	0.286	7	135.4120	0.082	7	135.4867	0.224	12	134.3764	16.231	13	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	134.8110	0.000	1	134.8110	0.000	1	135.4867	0.224	12	134.3764	16.231	13	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	135.9290	0.000	1	135.9290	0.000	1	135.4867	0.224	12	134.3764	16.231	13	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	135.3150	0.122	2	135.3150	0.015	2	135.4867	0.224	12	134.3764	16.231	13	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	134.3764	16.231	13	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CCO)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CCO){1|C<3>,2|C<4>,2|H<1>}	135.2840	0.000	1	135.2840	0.000	1	136.3989	4.588	7	135.8708	4.050	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])(CHO)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])(CHO){2|C<4>,2|H<1>,3|C<3>}	135.9855	1.015	2	135.9855	1.030	2	136.3989	4.588	7	135.8708	4.050	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	135.4190	0.178	2	135.4723	0.024	3	136.3989	4.588	7	135.8708	4.050	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|O<1>,4|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	135.5790	0.000	1	135.4723	0.024	3	136.3989	4.588	7	135.8708	4.050	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C-3:	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]Br)(COO)	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2{1|N<2>,2|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]Br)(COO){1|C<4>,1|O<2>,2|H<1>}	141.1200	0.000	1	141.1200	0.000	1	136.3989	4.588	7	135.8708	4.050	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	134.8430	0.000	1	134.1470	0.969	2	134.6387	1.210	3	135.8708	4.050	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	133.4510	0.000	1	134.1470	0.969	2	134.6387	1.210	3	135.8708	4.050	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[6a]-3:	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	135.6220	0.000	1	135.6220	0.000	1	134.6387	1.210	3	135.8708	4.050	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-3:C-4:	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]B[5a]C[6a])(CC3)	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|B<4>,1|N<3>,2|C<4>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]B[5a]C[6a])(CC3){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	134.8690	0.000	1	134.8690	0.000	1	131.8950	6.709	3	131.8950	6.709	3	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-3:C-4:	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3)	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	130.1340	0.000	1	130.4080	0.150	2	131.8950	6.709	3	131.8950	6.709	3	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-3:C-4:	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3)	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3){1|Mo<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	130.6820	0.000	1	130.4080	0.150	2	131.8950	6.709	3	131.8950	6.709	3	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:Br-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]Br)(Br)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|O<2>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]Br)(Br){2|H<1>,3|C<4>}	135.6680	0.000	1	135.6890	0.001	2	135.6890	0.001	2	135.6890	0.001	2	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:Br-1:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]Br)(Br)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]Br)(Br){2|H<1>,3|C<4>}	135.7100	0.000	1	135.6890	0.001	2	135.6890	0.001	2	135.6890	0.001	2	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:1:1:	3:3:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	134.8417	0.225	4	134.8417	0.051	4	134.8417	0.051	4	134.8417	0.051	4	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:2:1:	3:3:2:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:C[5a]-3:N-2:	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC)	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N){1|N<2>,3|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|H<1>,3|C<3>,3|N<2>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC){1|H<1>,1|S<2>,4|C<3>}	132.7160	0.000	1	132.7160	0.000	1	132.7160	0.000	1	132.7160	0.000	1	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	N[5,5a]-3:N[5a]-2:H-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	137.6950	0.000	1	137.6950	0.000	1	138.1303	0.144	3	138.0877	0.075	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	N[5,5a]-3:N[5a]-2:H-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	138.3480	0.061	2	138.3480	0.004	2	138.1303	0.144	3	138.0877	0.075	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[4]-4:H-1:	N[5,5a]-3:N[5a]-2:H-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,5|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	138.0520	0.000	1	138.0520	0.000	1	138.0520	0.000	1	138.0877	0.075	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	N[5,5a]-3:N[5a]-2:H-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	138.1150	0.071	3	138.0723	0.076	6	138.0723	0.076	6	138.0877	0.075	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	N[5,5a]-3:N[5a]-2:H-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>,5|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	138.0250	0.000	1	138.0723	0.076	6	138.0723	0.076	6	138.0877	0.075	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	N[5,5a]-3:N[5a]-2:H-1:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	138.0320	0.601	2	138.0723	0.076	6	138.0723	0.076	6	138.0877	0.075	10	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:3:1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	134.5690	0.000	1	134.5690	0.000	1	134.4885	0.013	2	134.9587	0.670	3	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	134.4080	0.000	1	134.4080	0.000	1	134.4885	0.013	2	134.9587	0.670	3	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:H-1:	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	135.8990	0.000	1	135.8990	0.000	1	135.8990	0.000	1	134.9587	0.670	3	135.1721	14.485	53	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5,6a]	C[5]	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,6a]-3:C[5a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	128.4810	0.000	1	128.4810	0.000	1	128.4810	0.000	1	128.4810	0.000	1	128.4810	0.000	1	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	N[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.5040	0.000	1	129.5040	0.000	1	129.5040	0.000	1	129.5040	0.000	1	128.4618	4.198	6	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	N[5a,6]-3:C[5,5]-4:O[5,6]-2:H-1:	N[5a,6]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	131.4100	0.000	1	131.4100	0.000	1	131.4100	0.000	1	131.4100	0.000	1	128.4618	4.198	6	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	128.5380	0.000	1	128.5380	0.000	1	128.5380	0.000	1	127.4642	2.410	4	128.4618	4.198	6	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	125.1700	0.000	1	125.1700	0.000	1	125.1700	0.000	1	127.4642	2.410	4	128.4618	4.198	6	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	128.0745	0.262	2	128.0745	0.069	2	128.0745	0.069	2	127.4642	2.410	4	128.4618	4.198	6	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	3:4:3:	3:3:3:3:	3:3:1:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	N[5a,6]-3:C[5,6a]-3:N[5,6]-3:C-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO)	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO){2|H<1>,3|O<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	133.5920	0.000	1	133.5920	0.000	1	133.5920	0.000	1	133.5920	0.000	1	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br){1|H<1>,1|N<2>,3|C<3>}	127.2270	0.188	2	127.2270	0.035	2	127.2270	0.035	2	127.2270	0.035	2	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,5|C<3>}	120.6565	1.228	2	120.6565	1.509	2	120.6565	1.509	2	120.6565	1.509	2	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	N[5a,6]-3:C[5a]-3:H-1:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	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>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.4040	0.924	3	122.4040	0.853	3	123.7708	4.052	5	123.4338	2.676	8	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,3|C<3>}	125.8210	0.701	2	125.8210	0.492	2	123.7708	4.052	5	123.4338	2.676	8	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|O<1>,2|C<3>,2|C<4>}	122.8690	1.006	2	122.8720	0.506	3	122.8720	0.506	3	123.4338	2.676	8	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,3|C<3>}	122.8780	0.000	1	122.8720	0.506	3	122.8720	0.506	3	123.4338	2.676	8	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	127.0288	0.138	5	127.4162	0.956	10	127.0193	0.738	28	127.0193	0.738	28	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	126.9720	0.000	1	127.4162	0.956	10	127.0193	0.738	28	127.0193	0.738	28	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	128.4800	1.328	3	127.4162	0.956	10	127.0193	0.738	28	127.0193	0.738	28	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	126.6060	0.000	1	127.4162	0.956	10	127.0193	0.738	28	127.0193	0.738	28	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	126.5665	0.144	4	126.7988	0.522	18	127.0193	0.738	28	127.0193	0.738	28	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	127.0118	0.856	11	126.7988	0.522	18	127.0193	0.738	28	127.0193	0.738	28	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	126.4570	0.000	2	126.7988	0.522	18	127.0193	0.738	28	127.0193	0.738	28	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	126.0690	0.000	1	126.7988	0.522	18	127.0193	0.738	28	127.0193	0.738	28	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br){1|C<3>,2|C<4>,2|H<1>}	128.8420	0.000	1	128.8420	0.000	1	128.7060	0.318	4	128.7060	0.318	4	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(Br)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(Br){1|C<3>,2|C<4>,2|H<1>}	128.6607	0.681	3	128.6607	0.464	3	128.7060	0.318	4	128.7060	0.318	4	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,5,6]-4:N[5a,6]-3:O[5]-2:H-1:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	126.6790	0.000	1	126.6790	0.000	1	126.6790	0.000	1	126.6790	0.000	1	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,5,6]-4:N[5a,6]-3:N[5]-3:H-1:	N[5a,6]-3:C[5a]-3:Br-1:	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H){1|Br<1>,1|H<1>,1|S<2>,3|C<3>,3|C<4>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	127.9090	0.000	2	127.9090	0.000	2	127.9090	0.000	2	127.9090	0.000	2	126.4727	5.681	48	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5,6]	C[5a,6a]	4:3:2:	4:3:2:1:	3:3:2:	C[5,6]-4:C[5a,6a]-3:N[5a]-2:	C[5,5,6]-4:N[5a]-3:O[5,6]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a])	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5a]C[5a,6a]N[5a])(O[5,6]C[5,5,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	128.4590	0.561	2	128.4590	0.315	2	128.4590	0.315	2	128.4590	0.315	2	128.4720	0.158	3	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5,6]	C[5a,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,5,6]-4:N[5a]-3:C[5,6]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]PdH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H)	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]PdH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	128.4980	0.000	1	128.4980	0.000	1	128.4980	0.000	1	128.4980	0.000	1	128.4720	0.158	3	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,5,6]-4:C[5,6]-4:N[5a]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]N[5a,6]O)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H)	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O)	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]N[5a,6]O)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H){2|N<3>,2|O<1>,3|C<4>,3|H<1>}	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	119.8805	0.162	2	119.8805	0.026	2	124.4860	28.335	4	124.4860	28.335	4	125.0084	19.461	8	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,5,6]-4:C[5,6]-4:N[5a]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]N[5a,6]O)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5,6]C[5a])(O)	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]N[5a,6]O)2{1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[5a]C[5a]2)(H){2|N<3>,2|O<1>,3|C<4>,3|H<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	129.0915	0.370	2	129.0915	0.137	2	124.4860	28.335	4	124.4860	28.335	4	125.0084	19.461	8	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CCH)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CCH){2|H<1>,3|C<4>}	128.8570	0.000	1	128.8570	0.000	1	129.0120	0.048	2	129.0120	0.048	2	125.0084	19.461	8	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CCH)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CCH){2|H<1>,3|C<4>}	129.1670	0.000	1	129.1670	0.000	1	129.0120	0.048	2	129.0120	0.048	2	125.0084	19.461	8	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	122.5550	0.000	1	122.5550	0.000	1	122.0495	0.511	2	122.0495	0.511	2	125.0084	19.461	8	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:4:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	121.5440	0.000	1	121.5440	0.000	1	122.0495	0.511	2	122.0495	0.511	2	125.0084	19.461	8	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	125.5740	0.000	1	125.5740	0.000	1	126.0018	1.394	8	126.0018	1.394	8	126.3021	2.285	10	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	125.0100	0.045	2	125.0100	0.002	2	126.0018	1.394	8	126.0018	1.394	8	126.3021	2.285	10	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	127.3380	0.615	3	126.4840	1.611	5	126.0018	1.394	8	126.0018	1.394	8	126.3021	2.285	10	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	125.2030	0.465	2	126.4840	1.611	5	126.0018	1.394	8	126.0018	1.394	8	126.3021	2.285	10	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[5a,6]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	129.4010	0.000	1	129.4010	0.000	1	129.4010	0.000	1	129.4010	0.000	1	126.3021	2.285	10	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6]	3:4:3:	4:3:2:1:	3:3:2:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	125.6060	0.000	1	125.6060	0.000	1	125.6060	0.000	1	125.6060	0.000	1	126.3021	2.285	10	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:S[5]-2:S[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|S<2>,4|H<1>}	125.3320	0.000	1	125.3320	0.000	1	125.3320	0.000	1	125.3320	0.000	1	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]N[5]H)	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]N[5]H){2|H<1>,4|C<4>,5|C<3>}	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	125.7840	4.960	2	125.7840	24.598	2	125.7840	24.598	2	127.5187	21.326	3	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H){1|H<1>,4|C<4>,5|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.9880	0.000	1	130.9880	0.000	1	130.9880	0.000	1	127.5187	21.326	3	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	124.7630	0.679	2	124.7630	0.461	2	126.8830	3.001	21	126.8830	3.001	21	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	127.7893	2.387	6	127.2357	2.582	18	126.8830	3.001	21	126.8830	3.001	21	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	126.9588	1.072	12	127.2357	2.582	18	126.8830	3.001	21	126.8830	3.001	21	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	124.7750	0.000	1	124.7750	0.000	1	126.8830	3.001	21	126.8830	3.001	21	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	125.4310	0.000	1	125.4310	0.000	1	126.0757	0.757	6	126.0757	0.757	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	126.3410	0.833	2	126.3410	0.694	2	126.0757	0.757	6	126.0757	0.757	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	125.0220	0.000	1	125.5365	0.529	2	126.0757	0.757	6	126.0757	0.757	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	126.0510	0.000	1	125.5365	0.529	2	126.0757	0.757	6	126.0757	0.757	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	127.2680	0.000	1	127.2680	0.000	1	126.0757	0.757	6	126.0757	0.757	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H){1|S<4>,4|H<1>,6|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.8930	0.000	1	123.8930	0.000	1	123.8930	0.000	1	123.8930	0.000	1	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	128.5050	0.000	1	127.6710	1.391	2	126.1118	1.472	10	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	126.8370	0.000	1	127.6710	1.391	2	126.1118	1.472	10	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	126.0410	0.000	1	126.0410	0.000	1	126.1118	1.472	10	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	125.7990	1.502	2	125.7990	2.256	2	126.1118	1.472	10	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,2|N<3>}	127.1850	0.000	1	127.1850	0.000	1	126.1118	1.472	10	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	125.3010	0.392	2	125.3010	0.153	2	126.1118	1.472	10	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	125.4580	0.000	1	125.4580	0.000	1	126.1118	1.472	10	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	124.8920	0.000	1	124.8920	0.000	1	126.1118	1.472	10	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,4|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	126.1350	0.000	1	126.1350	0.000	1	126.1350	0.000	1	126.1139	1.325	11	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:C-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO){2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.6820	0.000	1	123.6820	0.000	1	124.0345	0.249	2	124.0345	0.249	2	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:3:4:	3:4:4:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:C-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	124.3870	0.000	1	124.3870	0.000	1	124.0345	0.249	2	124.0345	0.249	2	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	128.8780	0.000	1	128.8780	0.000	1	128.8780	0.000	1	128.8780	0.000	1	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	131.2490	0.000	1	131.2490	0.000	1	131.2490	0.000	1	131.2490	0.000	1	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	127.4740	0.000	1	127.4740	0.000	1	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	129.3550	0.000	1	127.8746	0.564	8	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	127.1530	0.000	1	127.8746	0.564	8	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	127.4720	0.000	1	127.8746	0.564	8	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	128.0240	0.000	1	127.8746	0.564	8	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	127.2805	0.192	2	127.8746	0.564	8	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	128.0220	0.000	1	127.8746	0.564	8	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	128.4100	0.000	1	127.8746	0.564	8	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C[5])(N[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	125.5720	0.000	1	125.5720	0.000	1	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	128.0590	0.000	1	128.0590	0.000	1	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	124.6550	0.110	2	124.6550	0.012	2	127.1855	2.001	13	127.1855	2.001	13	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	128.2470	0.000	1	128.2470	0.000	1	128.5276	3.405	5	128.5276	3.405	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	127.9490	0.000	1	127.9490	0.000	1	128.5276	3.405	5	128.5276	3.405	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|N<3>,2|C<4>,2|H<1>,2|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	131.6570	0.000	1	131.6570	0.000	1	128.5276	3.405	5	128.5276	3.405	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]O[5]CH)(O[5]C[5])(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	127.3925	0.914	2	127.3925	0.836	2	128.5276	3.405	5	128.5276	3.405	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:2:	3:4:4:2:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,1|S<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	130.5370	0.000	1	130.5370	0.000	1	130.5370	0.000	1	130.5370	0.000	1	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5a]-3:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	127.7190	0.000	1	127.7190	0.000	1	127.7190	0.000	1	127.7190	0.000	1	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	127.1370	0.000	1	127.1370	0.000	1	127.1370	0.000	1	127.1370	0.000	1	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	127.0350	0.000	1	127.0350	0.000	1	127.0350	0.000	1	128.0848	10.029	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	124.2030	0.000	1	124.2030	0.000	1	126.8090	5.172	3	128.0848	10.029	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl){1|C<4>,2|C<3>,2|H<1>}	128.1120	0.397	2	128.1120	0.158	2	126.8090	5.172	3	128.0848	10.029	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C)	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C){3|C<3>,3|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	132.9620	0.000	1	132.9620	0.000	1	132.9620	0.000	1	128.0848	10.029	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	124.3530	0.000	1	124.3530	0.000	1	124.3960	0.037	3	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	124.2280	0.000	1	124.4175	0.072	2	124.3960	0.037	3	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	124.6070	0.000	1	124.4175	0.072	2	124.3960	0.037	3	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	125.3970	0.000	1	125.3970	0.000	1	125.3970	0.000	1	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|I<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	124.2140	0.000	1	123.9295	0.162	2	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	123.6450	0.000	1	123.9295	0.162	2	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	125.0380	0.198	2	125.0380	0.039	2	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	124.9540	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[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>}	123.7020	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	123.9300	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	126.8420	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	125.6980	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	124.6210	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	127.2850	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	125.5490	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	125.3610	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|H<1>}	125.2215	0.333	2	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	125.9830	0.000	1	125.3640	1.099	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	125.8860	0.000	1	126.0317	0.145	3	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	126.4640	0.000	1	126.0317	0.145	3	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	125.7450	0.000	1	126.0317	0.145	3	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	129.0090	0.000	1	129.0090	0.000	1	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	126.4550	0.000	1	126.4550	0.000	1	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	125.5200	0.000	1	125.5200	0.000	1	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	124.8680	0.000	1	124.8680	0.000	1	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	125.4550	0.000	1	127.0463	8.256	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	127.3982	4.137	5	127.0463	8.256	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	128.2127	2.213	3	127.0463	8.256	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	126.4950	0.000	1	127.0463	8.256	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	125.2060	0.000	1	127.0463	8.256	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|N<2>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	125.7710	0.000	1	127.0463	8.256	12	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	125.6240	0.000	1	125.6240	0.000	1	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	126.4370	0.000	1	126.4370	0.000	1	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	128.7480	0.000	1	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	126.5617	1.608	6	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	124.6945	0.115	2	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	128.2207	0.460	3	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	125.0010	0.000	1	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	128.5310	0.000	1	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	125.7160	0.000	1	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	125.1950	0.000	1	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	127.9525	2.204	2	126.8065	2.936	18	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|N<3>}	131.3220	0.000	1	131.3220	0.000	1	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,2|N<3>,2|O<1>}	124.6540	0.000	1	124.6540	0.000	1	126.3396	4.073	57	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	123.8360	0.000	1	123.8360	0.000	1	123.8250	1.149	4	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	125.1900	0.000	1	123.8810	3.427	2	123.8250	1.149	4	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	122.5720	0.000	1	123.8810	3.427	2	123.8250	1.149	4	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	123.7020	0.000	1	123.7020	0.000	1	123.8250	1.149	4	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:Se[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|Se<2>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.8980	0.000	1	125.4595	0.631	2	125.4595	0.631	2	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:Se[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|Se<2>,1|C<4>,1|N<2>,3|H<1>}	126.0210	0.000	1	125.4595	0.631	2	125.4595	0.631	2	126.0621	4.033	67	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	126.1850	0.000	1	126.1850	0.000	1	126.9438	8.106	6	126.9438	8.106	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	127.7450	0.000	1	127.7450	0.000	1	126.9438	8.106	6	126.9438	8.106	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	131.7220	0.000	1	131.7220	0.000	1	126.9438	8.106	6	126.9438	8.106	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.1470	0.000	1	124.1470	0.000	1	126.9438	8.106	6	126.9438	8.106	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.1140	0.000	1	124.1140	0.000	1	126.9438	8.106	6	126.9438	8.106	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	127.7500	0.000	1	127.7500	0.000	1	126.9438	8.106	6	126.9438	8.106	6	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	128.6510	0.000	1	128.2960	0.252	2	128.2960	0.252	2	128.2960	0.252	2	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|S<4>,4|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	127.9410	0.000	1	128.2960	0.252	2	128.2960	0.252	2	128.2960	0.252	2	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|N<2>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	124.9540	0.000	1	124.9540	0.000	1	124.2927	0.329	3	124.2044	0.180	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	123.9620	0.054	2	123.9620	0.003	2	124.2927	0.329	3	124.2044	0.180	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	124.0720	0.052	2	124.0720	0.003	2	124.0720	0.003	2	124.2044	0.180	5	126.5068	4.388	153	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:2:2:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:S[5]-2:S[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(S[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|H<1>,2|C<3>,2|S<2>}	128.6610	0.000	1	128.6610	0.000	1	128.6610	0.000	1	128.6610	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[6]-3:N[5]-2:N[5]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2)	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2){2|C<4>,7|C<3>}	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	127.8220	0.000	1	127.8220	0.000	1	127.8220	0.000	1	127.8220	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>,5|C<3>}	129.3250	0.000	1	129.3250	0.000	1	127.4514	6.047	18	127.4514	6.047	18	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>,5|C<3>}	128.2898	0.566	5	127.3412	6.193	17	127.4514	6.047	18	127.4514	6.047	18	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,5|C<3>}	125.1450	0.000	1	127.3412	6.193	17	127.4514	6.047	18	127.4514	6.047	18	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	128.1278	1.329	5	127.3412	6.193	17	127.4514	6.047	18	127.4514	6.047	18	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,6|C<3>}	121.8065	0.271	2	127.3412	6.193	17	127.4514	6.047	18	127.4514	6.047	18	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|F<1>,7|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,2|N<2>,5|C<3>}	130.8600	0.000	1	127.3412	6.193	17	127.4514	6.047	18	127.4514	6.047	18	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|H<1>,7|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,5|C<3>}	127.6980	1.453	3	127.3412	6.193	17	127.4514	6.047	18	127.4514	6.047	18	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	123.1730	0.000	1	123.1730	0.000	1	125.2242	6.235	18	125.1673	5.950	19	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,2|N<2>,6|C<3>}	128.1210	0.000	1	125.3449	6.347	17	125.2242	6.235	18	125.1673	5.950	19	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	123.8426	0.702	5	125.3449	6.347	17	125.2242	6.235	18	125.1673	5.950	19	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	124.8082	1.554	5	125.3449	6.347	17	125.2242	6.235	18	125.1673	5.950	19	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	130.8295	0.173	2	125.3449	6.347	17	125.2242	6.235	18	125.1673	5.950	19	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|F<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	123.3700	0.000	1	125.3449	6.347	17	125.2242	6.235	18	125.1673	5.950	19	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	124.8197	1.510	3	125.3449	6.347	17	125.2242	6.235	18	125.1673	5.950	19	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[6]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2)	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2){2|C<4>,7|C<3>}	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	124.1430	0.000	1	124.1430	0.000	1	124.1430	0.000	1	125.1673	5.950	19	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:3:4:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H){1|H<1>,4|C<4>,5|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.8180	0.000	1	123.8180	0.000	1	123.8180	0.000	1	123.8180	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:2:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	125.7417	1.518	6	126.4212	1.648	16	126.5477	1.817	17	126.5477	1.817	17	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:2:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	126.8289	0.987	10	126.4212	1.648	16	126.5477	1.817	17	126.5477	1.817	17	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:2:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	128.5720	0.000	1	128.5720	0.000	1	126.5477	1.817	17	126.5477	1.817	17	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	127.2720	0.153	2	127.2720	0.023	2	127.2720	0.023	2	127.2142	0.270	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	127.1565	0.879	2	127.1565	0.773	2	127.1565	0.773	2	127.2142	0.270	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	127.4155	1.132	2	127.4155	1.282	2	127.6696	1.244	5	127.6696	1.244	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	129.1530	0.000	1	128.5010	0.850	2	127.6696	1.244	5	127.6696	1.244	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	127.8490	0.000	1	128.5010	0.850	2	127.6696	1.244	5	127.6696	1.244	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	126.5150	0.000	1	126.5150	0.000	1	127.6696	1.244	5	127.6696	1.244	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]C[5]C)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	126.3020	0.000	1	126.3020	0.000	1	126.3020	0.000	1	125.5340	1.180	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]S)(H){1|C<4>,2|C<3>,2|H<1>}	124.7660	0.000	1	124.7660	0.000	1	124.7660	0.000	1	125.5340	1.180	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:N[5]-3:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H){1|S<4>,4|H<1>,6|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.9580	0.000	1	123.9580	0.000	1	123.9580	0.000	1	125.2275	3.223	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCH){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	126.4970	0.000	1	126.4970	0.000	1	126.4970	0.000	1	125.2275	3.223	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H){1|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	126.8980	1.312	2	126.8980	1.722	2	128.1663	1.218	10	128.1663	1.218	10	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	128.5590	0.000	1	128.5590	0.000	1	128.1663	1.218	10	128.1663	1.218	10	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	127.8805	1.252	2	127.8805	1.568	2	128.1663	1.218	10	128.1663	1.218	10	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	127.4330	0.000	1	127.4330	0.000	1	128.1663	1.218	10	128.1663	1.218	10	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	129.1640	0.332	2	129.1640	0.110	2	128.1663	1.218	10	128.1663	1.218	10	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	128.4230	0.000	1	128.4230	0.000	1	128.1663	1.218	10	128.1663	1.218	10	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HS)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	129.3630	0.000	1	129.3630	0.000	1	128.1663	1.218	10	128.1663	1.218	10	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:C[5a]-3:S-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(C[5]C[5]2H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(SC)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(SC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	125.4970	0.000	1	125.4970	0.000	1	125.4970	0.000	1	125.4970	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(COO){2|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	130.5580	0.000	1	130.5580	0.000	1	130.3040	0.129	2	130.3040	0.129	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:3:4:	3:4:4:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	N[5a]-3:C[5]-4:C[5]-4:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	130.0500	0.000	1	130.0500	0.000	1	130.3040	0.129	2	130.3040	0.129	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:2:	3:4:2:1:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>}	128.2420	0.000	1	128.2420	0.000	1	128.1595	0.367	4	128.1595	0.367	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:2:	3:4:2:1:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	128.2620	0.000	1	128.1320	0.546	3	128.1595	0.367	4	128.1595	0.367	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:2:	3:4:2:1:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	128.0670	1.032	2	128.1320	0.546	3	128.1595	0.367	4	128.1595	0.367	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:2:	3:4:3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-3:C-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,4|C<3>}	127.6070	0.000	1	127.6070	0.000	1	127.6070	0.000	1	127.6070	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a]){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	129.5730	0.000	1	129.5730	0.000	1	129.5730	0.000	1	128.5415	2.128	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a]){2|C<4>,6|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)2(H){1|S<4>,2|C<3>,4|H<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	127.5100	0.000	1	127.5100	0.000	1	127.5100	0.000	1	128.5415	2.128	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:2:	3:4:4:1:	3:3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	128.5623	1.176	3	128.5623	1.384	3	128.8157	1.179	4	128.8157	1.179	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:2:	3:4:4:1:	3:3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NHH)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	129.5760	0.000	1	129.5760	0.000	1	128.8157	1.179	4	128.8157	1.179	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:3:2:1:	3:2:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5a]-3:O[5]-2:H-1:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	125.1960	0.000	1	125.1960	0.000	1	125.1960	0.000	1	125.1960	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:3:3:3:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[6a]-3:N[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|H<1>,7|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	126.9100	0.175	2	126.9100	0.031	2	126.9100	0.031	2	126.9100	0.031	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,9|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	124.8100	0.000	1	124.8100	0.000	1	124.8100	0.000	1	126.1665	3.680	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H){2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	127.5230	0.000	1	127.5230	0.000	1	127.5230	0.000	1	126.1665	3.680	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:N[5]-3:C[5]-4:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C)	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C){3|C<3>,3|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.2970	0.000	1	128.2970	0.000	1	127.1928	2.492	9	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.1650	0.092	2	128.1650	0.008	2	127.1928	2.492	9	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	126.2777	0.755	3	126.6847	3.054	6	127.1928	2.492	9	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.5005	1.107	2	126.6847	3.054	6	127.1928	2.492	9	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	124.2740	0.000	1	126.6847	3.054	6	127.1928	2.492	9	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.7550	0.000	1	128.7550	0.000	1	129.6150	0.663	3	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	129.7160	0.000	1	130.0450	0.216	2	129.6150	0.663	3	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	130.3740	0.000	1	130.0450	0.216	2	129.6150	0.663	3	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5,5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.3740	0.000	1	128.3740	0.000	1	128.3740	0.000	1	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	126.9740	0.000	1	126.9740	0.000	1	126.9740	0.000	1	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	129.6140	0.000	1	125.9615	26.682	2	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.3090	0.000	1	125.9615	26.682	2	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.0370	0.000	1	128.0370	0.000	1	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	126.5310	0.000	1	126.5310	0.000	1	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.5950	0.000	1	128.5950	0.000	1	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	129.0540	0.000	1	129.0540	0.000	1	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	129.7120	0.000	1	126.9268	8.445	12	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	126.2672	3.087	9	126.9268	8.445	12	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.3660	0.000	1	126.9268	8.445	12	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|N<2>,5|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.6380	0.000	1	126.9268	8.445	12	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.8260	0.000	1	128.8260	0.000	1	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	127.3250	0.000	1	127.3250	0.000	1	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	124.2230	0.000	1	126.9095	3.171	18	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	127.0543	1.626	14	126.9095	3.171	18	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	129.4010	0.000	1	126.9095	3.171	18	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	125.9935	2.033	2	126.9095	3.171	18	127.0469	5.062	38	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	119.3170	0.000	1	119.3170	0.000	1	119.3170	0.000	1	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:Se[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	128.8165	0.851	2	128.8165	0.724	2	128.8165	0.724	2	127.1575	5.488	55	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:C-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(CC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	124.4920	0.000	1	124.4920	0.000	1	124.4920	0.000	1	124.4920	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(NOO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(NOO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	126.8470	0.000	1	126.8470	0.000	1	126.8470	0.000	1	126.8470	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	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>}	125.6660	0.000	1	125.6660	0.000	1	125.6660	0.000	1	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.1070	0.000	1	125.1070	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	127.3010	0.000	1	127.3010	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|I<1>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	126.2950	0.000	1	126.2950	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	125.9290	0.000	1	125.9290	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	127.5040	0.004	2	127.5040	0.000	2	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	124.9830	0.000	1	124.9830	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	125.2400	0.000	1	125.2400	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	126.2707	0.819	7	126.2707	0.671	7	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	126.7170	0.000	1	126.7170	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	125.1020	0.000	1	125.1020	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	125.4480	0.000	1	125.4480	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	125.5840	0.000	1	125.5840	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	125.6460	0.000	1	125.6460	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	129.5990	0.000	1	129.5990	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	126.1300	0.000	1	126.1300	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	127.9050	0.000	1	127.9050	0.000	1	126.3430	1.321	23	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.9620	0.000	1	121.9620	0.000	1	121.9620	0.000	1	126.1407	1.987	25	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:N[5]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4320	0.000	1	123.4320	0.000	1	123.8850	0.410	2	123.8850	0.410	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:N[5]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|S<4>,4|C<3>,4|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3380	0.000	1	124.3380	0.000	1	123.8850	0.410	2	123.8850	0.410	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){2|C<3>,3|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|N<2>,5|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	128.8400	0.000	1	128.8400	0.000	1	129.3510	0.226	3	129.6818	0.319	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	129.6065	0.247	2	129.6065	0.061	2	129.3510	0.226	3	129.6818	0.319	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:4:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5,5]-4:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	130.1780	0.062	2	130.1780	0.004	2	130.1780	0.004	2	129.6818	0.319	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	4:3:2:1:	3:2:1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6]C[5a])(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	128.1160	0.000	1	128.1160	0.000	1	128.1160	0.000	1	128.1160	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:3:3:3:	3:2:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|N<3>,2|C<3>}	128.5780	0.000	1	129.4060	1.371	2	129.4060	1.371	2	129.4060	1.371	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:3:3:3:	3:2:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	130.2340	0.000	1	129.4060	1.371	2	129.4060	1.371	2	129.4060	1.371	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){5|C<3>}	127.8510	0.000	1	127.8510	0.000	1	127.8510	0.000	1	128.9070	2.230	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[6a]-3:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|O<2>,3|C<3>}	129.9630	0.000	1	129.9630	0.000	1	129.9630	0.000	1	128.9070	2.230	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|C<3>}	128.9750	0.180	2	128.9750	0.032	2	128.9750	0.032	2	128.9750	0.032	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:3:4:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5a]C[5a]N[5a])2(C[5]C[5]HO)(C[5]C[5]O){4|C<3>,6|H<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.6995	1.173	2	127.6995	1.376	2	127.6995	1.376	2	127.6995	1.376	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:3:4:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:C[5]-4:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3){2|H<1>,2|N<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){2|C<4>,3|C<3>}	128.9790	0.000	1	128.9790	0.000	1	128.9790	0.000	1	128.9790	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:4:2:1:	3:2:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	128.6673	2.134	3	128.6673	4.554	3	128.6673	4.554	3	128.6673	4.554	3	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:4:2:1:	3:2:3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(COO)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	132.4930	0.000	1	132.4930	0.000	1	132.4930	0.000	1	132.4930	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.9330	1.754	4	128.9330	3.075	4	128.9330	3.075	4	128.4880	3.297	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	126.7080	0.000	1	126.7080	0.000	1	126.7080	0.000	1	128.4880	3.297	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	4:3:2:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|N<2>}	124.8733	0.546	3	124.8733	0.298	3	124.8733	0.298	3	124.8733	0.298	3	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	4:3:2:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,1|O<2>}	131.0210	0.000	1	131.0210	0.000	1	131.0210	0.000	1	131.0210	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	4:3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	129.3990	0.000	1	129.3990	0.000	1	129.3990	0.000	1	129.3990	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:2:	4:3:4:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]N[5a])(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	131.3050	0.000	1	131.3050	0.000	1	131.3050	0.000	1	131.3050	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5a]-3:C[5a]-3:	N[5]-3:C[5]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,6|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.9280	0.000	1	125.9280	0.000	1	125.9280	0.000	1	125.9280	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5a]-3:C[5a]-3:	N[5]-3:C[5]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]C[5])	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,6|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|N<3>,3|H<1>}	123.6580	0.000	1	123.6580	0.000	1	123.6580	0.000	1	123.6580	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-3:S-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a]){1|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>,2|H<1>}	125.1283	0.570	4	125.1283	0.324	4	125.1283	0.324	4	125.1283	0.324	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,6|C<3>}	123.2610	0.000	1	127.0540	28.774	2	127.0540	28.774	2	127.0540	28.774	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:2:	3:3:2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,6|C<3>}	130.8470	0.000	1	127.0540	28.774	2	127.0540	28.774	2	127.0540	28.774	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	129.1770	0.000	1	125.1945	31.721	2	125.1945	31.721	2	125.1945	31.721	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	121.2120	0.000	1	125.1945	31.721	2	125.1945	31.721	2	125.1945	31.721	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[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])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	123.4050	0.000	1	123.4050	0.000	1	124.8970	6.987	3	126.4596	8.372	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	125.6430	3.261	2	125.6430	10.635	2	124.8970	6.987	3	126.4596	8.372	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[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])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	129.5780	0.000	1	128.8035	1.200	2	128.8035	1.200	2	126.4596	8.372	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[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])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	128.0290	0.000	1	128.8035	1.200	2	128.8035	1.200	2	126.4596	8.372	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:3:3:4:	3:3:4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[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])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	127.7000	0.000	1	127.7000	0.000	1	127.7000	0.000	1	127.7000	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[5a]-3:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,3|H<1>}	124.9040	0.000	1	124.9040	0.000	1	127.6670	4.925	4	127.6670	4.925	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[5a]-3:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){2|H<1>,3|C<4>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	127.9500	1.468	2	127.9500	2.155	2	127.6670	4.925	4	127.6670	4.925	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[5a]-3:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	129.8640	0.000	1	129.8640	0.000	1	127.6670	4.925	4	127.6670	4.925	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[5a]-3:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	128.6830	0.000	1	128.6830	0.000	1	128.6830	0.000	1	128.6830	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:4:2:1:	3:3:2:	C[5]-4:C[5a]-3:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){2|H<1>,3|C<4>}	C[5](N[5a]C[5a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC){1|C<4>,1|O<2>,2|H<1>}	125.1735	1.097	2	125.1735	1.203	2	125.1735	1.203	2	125.1735	1.203	2	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:4:2:1:	3:3:3:	C[5]-4:C[5a]-3:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(NHH)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](N[5a]C[5a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(NHH){1|C<4>,1|O<2>,2|H<1>,2|N<2>}	123.8550	0.000	1	123.8550	0.000	1	123.8550	0.000	1	123.8550	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	3:4:3:3:	3:3:1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:N[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	125.4205	0.315	4	125.4205	0.099	4	125.4205	0.099	4	125.4205	0.099	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	128.9060	0.000	1	128.9060	0.000	1	128.9060	0.000	1	128.9060	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,5]-4:N[5a]-3:O[5]-2:H-1:	N[5a]-3:C[5a]-3:F-1:	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(F)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(F){1|C<4>,1|O<2>,2|H<1>}	125.4100	0.000	1	125.4100	0.000	1	125.4100	0.000	1	125.4100	0.000	1	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	126.0572	2.220	4	126.0572	4.927	4	126.0572	4.927	4	126.0572	4.927	4	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,5]-4:N[5a]-3:C[5]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5a]C[5a]2)(C[5]O[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	127.5115	2.525	4	127.5115	6.373	4	127.5115	6.373	4	126.6656	8.358	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP2_SP2_SP3	N[5a]	C[5]	C[5a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[3,5]-4:N[5a]-3:C[5]-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a]C)(O)	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a]C)(O){1|O<1>,2|C<4>,2|H<1>}	123.2820	0.000	1	123.2820	0.000	1	123.2820	0.000	1	126.6656	8.358	5	126.9041	5.464	254	128.7313	20.962	626
813	474	727	0:SP3_SP2_SP3	N[5,5a,6]	C[5,5,6]	C[5a]	3:4:3:	3:4:4:1:	3:3:1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,5a,6]-3:N[5a]-3:O-1:	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	125.3080	0.000	1	125.3080	0.000	1	125.3080	0.000	1	125.3080	0.000	1	125.3080	0.000	1	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[3x5]	C[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[3x5]-4:N[5,5a]-3:C[5a]-3:	C[3x5,6]-4:C[5,5,6]-4:N[5,5a]-3:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H)	C[5a](N[5,5a]N[5,5a]C[3x5])(N[5a]C[5a]C[6a])(O)	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5a](N[5,5a]N[5,5a]C[3x5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	124.4820	0.000	1	124.4820	0.000	1	124.4820	0.000	1	124.4820	0.000	1	124.4820	0.000	1	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[5,5]	C[5a]	4:3:3:	3:4:3:1:	3:3:1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,5,6]-4:C[5,5]-3:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H)	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O)	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	121.7815	1.982	2	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[5,5]	C[5a]	4:3:3:	3:4:4:1:	3:3:1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H)	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O)	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	121.7815	1.982	2	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[5,6]	C[5a,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	133.0810	0.000	1	133.0810	0.000	1	133.0810	0.000	1	133.0810	0.000	1	133.0810	0.000	1	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:3:4:	3:4:3:3:	3:3:1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:C-3:C-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	123.5160	0.000	1	123.5160	0.000	1	123.5160	0.000	1	123.5160	0.000	1	123.7652	17.098	5	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:3:3:	3:3:1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,5|C<3>}	119.5850	0.000	1	119.5850	0.000	1	119.5850	0.000	1	119.5850	0.000	1	123.7652	17.098	5	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:3:1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	123.7652	17.098	5	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[5]	C[5a]	3:4:3:	3:4:4:1:	3:3:1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	125.2970	0.000	1	125.2970	0.000	1	125.2970	0.000	1	125.2970	0.000	1	123.7652	17.098	5	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5,5a]	C[5]	C[5a]	4:3:3:	4:3:3:3:	3:3:1:	C[5]-4:N[5,5a]-3:C[5a]-3:	C[3x5,6]-4:N[5,5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O)	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,7|C<3>,7|H<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	129.9210	0.000	1	129.9210	0.000	1	129.9210	0.000	1	129.9210	0.000	1	123.7652	17.098	5	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5a,6]	C[5,6,6]	C[5a]	4:3:3:	4:4:3:1:	3:3:1:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	C[5a](N[5a,6]C[5,6,6]N[5a,6])(N[5a]C[5,6]C[5a])(O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	123.8450	0.000	1	123.8450	0.000	1	123.8450	0.000	1	123.8450	0.000	1	123.8450	0.000	1	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	3:4:3:	3:3:3:2:	3:3:1:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	130.0700	0.000	1	130.0700	0.000	1	130.0700	0.000	1	130.0700	0.000	1	127.0917	13.462	3	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:3:3:4:	3:3:1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN)	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	128.2120	0.000	1	128.2120	0.000	1	128.2120	0.000	1	128.2120	0.000	1	127.0917	13.462	3	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5a,6]	C[5,6]	C[5a]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	N[5a,6]-3:C[5a]-3:H-1:	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[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	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>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	127.0917	13.462	3	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5a]	C[5,5]	C[5a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5,6]-4:C[5,5,6]-4:N[5a]-3:C-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC)	C[5a](N[5a]C[5,5]N[5a])(N[5a]C[5a]C[6a])(O)	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5,5]N[5a])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.8040	0.000	1	124.8040	0.000	1	124.8040	0.000	1	124.8040	0.000	1	124.8040	0.000	1	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5a]	C[5]	C[5a,6]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	127.7250	0.000	1	127.7250	0.000	1	127.7250	0.000	1	127.7250	0.000	1	127.7250	0.000	1	125.0800	13.470	17
813	474	727	0:SP3_SP2_SP3	N[5a]	C[5]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6]-3:C[5]-4:C[5a]-3:	N[5a]-3:C[5]-4:O[5]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5a]C[5a,6]C[5a])(C[5]C[5,6]HO)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	125.0800	13.470	17
813	474	727	5:SP2_SP2_SP3	N[5,5a,6]	C[5,5,6]	C[5,5a,6]	3:4:2:	3:4:4:1:	3:4:2:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	N[5,5a,6]-3:C[5,5,6]-4:N[5a]-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])	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	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])	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>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,2|C<3>,2|N<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]){1|C<4>,1|O<2>,2|H<1>}	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	111.3240	0.139	2	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a,6]	C[5,5,6]	C[5,5a,6]	3:4:2:	3:4:4:1:	3:4:3:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	N[5,5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	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[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H)	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)	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>}	C[5,5,6](N[5,5a,6]C[5,5a,6]N[5a])(C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(H){1|C<4>,1|N<2>,3|C<3>}	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>}	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.3240	0.139	2	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a,6]	C[5,6]	C[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	N[5,5a,6]-3:C[5,6a]-3:C[6]-4:H-1:	N[5,5a,6]-3:C[5,6a]-3:C[5a]-3:	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5a](N[5,5a,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]H)	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[5,5a](N[5,5a,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,5]	C[5,5a]	3:3:4:	3:4:4:3:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	N[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5,5a]-3:C[5]-4:C[5a]-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])	C[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H)	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)	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>}	C[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H){1|C<4>,8|C<3>}	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>}	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	114.3042	0.276	5	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,5]	C[5,5a]	3:4:3:	3:3:2:2:	3:3:2:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:N[5]-2:N[5]-2:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(N[5]C[5])2	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a]){7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(N[5]C[5])2{1|H<1>,1|N<2>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a]){1|H<1>,2|N<2>,4|C<3>}	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	114.3042	0.276	5	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,5]	C[5,5a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H)	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	114.6673	0.075	3	114.6673	0.006	3	114.6673	0.006	3	114.6673	0.006	3	114.3042	0.276	5	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|S<2>,2|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){6|C<3>}	114.5880	0.000	1	114.5880	0.000	1	114.7830	0.076	2	114.1698	0.405	6	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|N<2>,2|C<4>,5|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	114.9780	0.000	1	114.9780	0.000	1	114.7830	0.076	2	114.1698	0.405	6	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	114.3250	0.000	1	113.7320	0.703	2	113.8632	0.273	4	114.1698	0.405	6	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	113.1390	0.000	1	113.7320	0.703	2	113.8632	0.273	4	114.1698	0.405	6	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	113.9945	0.218	2	113.9945	0.048	2	113.8632	0.273	4	114.1698	0.405	6	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	114.4805	1.360	2	114.4805	1.849	2	114.4805	1.849	2	114.4805	1.849	2	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|H<1>,3|C<3>,4|C<4>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	4:3:3:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	111.9530	0.000	1	112.5950	0.342	3	112.5950	0.342	3	112.5950	0.342	3	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	4:3:3:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,6]-3:O[6]-2:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H)	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6])(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	112.9160	0.257	2	112.5950	0.342	3	112.5950	0.342	3	112.5950	0.342	3	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a]){9|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6]){3|H<1>,3|N<2>,7|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	114.7700	0.000	1	114.7700	0.000	1	114.7700	0.000	1	113.8960	1.528	2	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	N[5,5a]-3:C[5,6a]-3:N[5a]-2:	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a]){9|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){10|C<3>,1|N<2>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	113.8960	1.528	2	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	4:3:3:	3:4:3:2:	3:2:2:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6])	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.4130	0.000	1	115.4130	0.000	1	115.4130	0.000	1	115.4130	0.000	1	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H)	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<4>,5|H<1>}	C[5,6](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H){2|C<4>,4|H<1>}	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	113.7395	1.295	16	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	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](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5])	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>}	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	109.4240	0.000	2	109.4240	0.000	2	109.4240	0.000	2	109.6380	0.061	4	109.8808	0.131	8	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	109.8520	0.000	2	109.8520	0.000	2	109.8520	0.000	2	109.6380	0.061	4	109.8808	0.131	8	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	N[5,5a]-3:C[5]-4:C-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH)	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H){1|C<4>,3|C<3>}	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,5|H<1>}	110.1235	0.296	4	110.1235	0.088	4	110.1235	0.088	4	110.1235	0.088	4	109.8808	0.131	8	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:N[5a]-2:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:N[5]-3:	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C)	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C){2|C<3>,5|H<1>}	112.6700	0.226	2	112.6700	0.051	2	112.6700	0.051	2	112.6700	0.051	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:2:3:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:O[5]-2:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]O[5]CC)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(CCH)(H){2|C<4>,3|C<3>}	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>}	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:2:4:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:O[5]-2:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH){1|O<1>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O){1|C<4>,3|H<1>}	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:1:1:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]C)(H)2{1|N<2>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5]){2|H<1>,3|C<3>}	118.2130	0.160	2	118.2130	0.026	2	118.2130	0.026	2	118.2130	0.026	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	111.3930	0.000	1	111.3930	0.000	1	112.1635	2.377	4	112.3918	2.043	5	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	114.4170	0.000	1	114.4170	0.000	1	112.1635	2.377	4	112.3918	2.043	5	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|S<3>,3|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)2{2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|S<3>,4|H<1>}	111.4220	0.600	2	111.4220	0.360	2	112.1635	2.377	4	112.3918	2.043	5	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH){1|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){3|H<1>,6|C<3>}	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	112.3918	2.043	5	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:2:1:	3:2:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|F<1>,1|N<2>,2|H<1>,4|C<3>}	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>}	120.0400	1.269	2	119.9257	0.513	8	119.9257	0.513	8	119.9257	0.513	8	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:2:1:	3:2:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|F<1>,1|N<2>,3|H<1>,4|C<3>}	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>}	119.2075	0.179	2	119.9257	0.513	8	119.9257	0.513	8	119.9257	0.513	8	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:2:1:	3:2:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|F<1>,2|H<1>,4|C<3>}	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>}	120.5410	0.000	1	119.9257	0.513	8	119.9257	0.513	8	119.9257	0.513	8	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:2:1:	3:2:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,4|C<3>,4|H<1>}	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>}	119.6870	0.000	1	119.9257	0.513	8	119.9257	0.513	8	119.9257	0.513	8	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:2:1:	3:2:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	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>}	120.3415	0.330	2	119.9257	0.513	8	119.9257	0.513	8	119.9257	0.513	8	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:2:1:	3:3:4:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]S[5]HH)	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>}	C[5](N[5,5a]C[5,5a]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	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>}	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	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>}	115.9338	0.729	5	115.9338	0.531	5	115.9338	0.531	5	115.9338	0.531	5	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){3|C<3>,3|H<1>}	115.1710	0.000	1	115.1710	0.000	1	115.1710	0.000	1	115.1710	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O)	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|Br<1>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O){3|C<3>,3|H<1>}	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	114.9730	0.058	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:N[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|C<3>,4|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S){3|C<3>,3|H<1>}	114.9073	0.247	3	114.9073	0.061	3	114.9073	0.061	3	114.9730	0.058	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	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>}	114.1920	0.000	1	114.1920	0.000	1	113.8912	1.189	4	114.5797	1.349	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,3|H<1>,5|C<3>}	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>}	115.2260	0.000	1	115.2260	0.000	1	113.8912	1.189	4	114.5797	1.349	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	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>}	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>}	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>}	112.6510	0.000	1	112.6510	0.000	1	113.8912	1.189	4	114.5797	1.349	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	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>}	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>}	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>}	113.4960	0.000	1	113.4960	0.000	1	113.8912	1.189	4	114.5797	1.349	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	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>}	115.6570	0.000	1	115.6570	0.000	1	115.4977	0.052	3	114.5797	1.349	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<3>}	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>}	115.6000	0.000	1	115.6000	0.000	1	115.4977	0.052	3	114.5797	1.349	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	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>}	115.2360	0.000	1	115.2360	0.000	1	115.4977	0.052	3	114.5797	1.349	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	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>}	113.6930	0.000	1	114.5532	0.256	6	114.5532	0.256	6	114.5532	0.256	6	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	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>}	114.6690	0.000	1	114.5532	0.256	6	114.5532	0.256	6	114.5532	0.256	6	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:3:4:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	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>}	114.7392	0.360	4	114.5532	0.256	6	114.5532	0.256	6	114.5532	0.256	6	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:O[5]-2:	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(O[5]C[5])	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]O[5]CH)(H)2{1|N<2>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(O[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	116.0477	9.923	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(S[5]C[5])	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(S[5]C[5]){2|C<3>,4|H<1>}	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	116.0477	9.923	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5]){2|C<3>,4|H<1>}	117.9455	0.308	2	117.9455	0.095	2	117.9455	0.095	2	116.0477	9.923	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]CH)(H)2{1|N<2>,1|S<4>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	113.8420	0.000	1	113.8420	0.000	1	113.8420	0.000	1	113.8420	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	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>}	114.3970	0.000	1	114.3970	0.000	1	114.3970	0.000	1	114.3970	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|O<1>,4|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	114.3820	0.000	1	114.3820	0.000	1	114.4437	0.050	10	113.5932	3.992	12	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<4>,4|H<1>}	114.4361	0.249	7	114.4361	0.062	7	114.4437	0.050	10	113.5932	3.992	12	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	114.5010	0.252	2	114.5010	0.063	2	114.4437	0.050	10	113.5932	3.992	12	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5]-3:Ge[5a]-3:	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Cr)	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Cr){1|C<3>,4|C<4>,4|H<1>}	109.5280	0.000	1	109.5280	0.000	1	109.3410	0.070	2	113.5932	3.992	12	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5]-3:Ge[5a]-3:	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Mo)	N[5,5a](C[5,5a]Ge[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|Ge<3>,1|N<3>,2|C<4>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Mo){1|C<3>,4|C<4>,4|H<1>}	109.1540	0.000	1	109.1540	0.000	1	109.3410	0.070	2	113.5932	3.992	12	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	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>}	114.0310	0.518	2	114.0310	0.268	2	113.9126	0.309	10	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	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>}	113.8040	0.545	3	113.8040	0.297	3	113.9126	0.309	10	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	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>}	113.9090	0.000	1	114.2445	0.225	2	113.9126	0.309	10	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	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>}	114.5800	0.000	1	114.2445	0.225	2	113.9126	0.309	10	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	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>}	113.0700	0.000	1	113.0700	0.000	1	113.9126	0.309	10	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	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>}	114.6220	0.000	1	114.6220	0.000	1	113.9126	0.309	10	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	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>}	113.4710	0.000	1	113.4710	0.000	1	113.9126	0.309	10	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	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>}	113.9550	0.000	1	113.9550	0.000	1	114.3728	0.469	5	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	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>}	114.2530	0.516	2	114.6597	0.629	3	114.3728	0.469	5	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	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>}	115.4730	0.000	1	114.6597	0.629	3	114.3728	0.469	5	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HO)(H)2{1|H<1>,1|N<2>,3|C<3>}	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>}	113.9300	0.000	1	113.9300	0.000	1	114.3728	0.469	5	114.0660	0.383	15	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:4:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	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])	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	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>}	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[3,5]-4:H-1:H-1:	N[5,5a]-3:C[3,5]-4:C[5a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2	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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2{2|H<1>,4|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){2|C<3>,5|H<1>}	115.5090	0.000	1	115.5090	0.000	1	115.5090	0.000	1	113.8280	1.522	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	N[5,5a]-3:C[5,6]-4:C[5a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	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>}	113.2677	0.632	3	113.2677	0.399	3	113.2677	0.399	3	113.8280	1.522	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	B[5a]-4:N[5,5a]-3:N[5]-3:	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])	N[5,5a](C[5,5a]B[5a]N[5])(C[5a]N[5a]C)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]N[5]HH)(H)2{1|B<4>,1|N<3>,2|C<4>}	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5]){3|C<3>,4|C<4>,4|H<1>}	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	113.8874	2.542	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-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]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2	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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	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>}	115.5365	0.076	2	115.5365	0.006	2	115.1537	0.443	3	113.8874	2.542	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-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]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	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>}	114.3880	0.000	1	114.3880	0.000	1	115.1537	0.443	3	113.8874	2.542	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<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){2|C<3>,3|H<1>,4|C<4>}	113.8520	0.000	1	113.8520	0.000	1	113.6377	0.036	3	113.8874	2.542	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-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)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	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>}	113.5305	0.060	2	113.5305	0.004	2	113.6377	0.036	3	113.8874	2.542	7	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:3:1:	3:4:3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:N-3:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(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)	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(NCC)(H){1|H<1>,4|C<3>}	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>}	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|O<2>,3|C<3>}	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>}	115.7190	0.000	1	115.5125	0.085	2	115.5125	0.085	2	115.5125	0.085	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	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>}	115.3060	0.000	1	115.5125	0.085	2	115.5125	0.085	2	115.5125	0.085	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:3:4:	3:4:4:1:	3:4:2:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	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](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	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])	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>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	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>}	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:H-1:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a]){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C){2|C<3>,3|H<1>}	114.8235	0.496	4	114.8235	0.246	4	114.8235	0.246	4	114.8235	0.246	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:3:3:1:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	116.3830	0.000	1	116.3830	0.000	1	116.3830	0.000	1	116.3830	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:3:3:2:	3:2:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[6a]-3:C[5]-3:O-2:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5])	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a]){4|C<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH){1|N<2>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5]){1|O<2>,3|C<3>}	120.0685	1.535	2	120.0685	2.357	2	120.0685	2.357	2	120.0685	2.357	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:3:3:3:	3:3:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:O[5]-2:	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5])	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a]){1|N<2>,6|C<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]O[5]N){4|H<1>,6|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5]){1|N<2>,3|C<3>}	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:3:3:4:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a]){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	116.4300	0.359	2	116.4300	0.129	2	116.4300	0.129	2	116.4300	0.129	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:4:1:1:	3:2:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){3|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{1|H<1>,2|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H){4|H<1>}	113.1130	0.000	1	113.1130	0.000	1	114.1315	2.075	2	114.1315	2.075	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:4:1:1:	3:2:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){1|N<2>,2|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]N[5]HH)(H)2{3|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N){4|H<1>}	115.1500	0.000	1	115.1500	0.000	1	114.1315	2.075	2	114.1315	2.075	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{3|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C){5|H<1>}	115.6940	0.000	1	115.6940	0.000	1	115.8100	0.027	2	115.8100	0.027	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C){4|H<1>}	115.9260	0.000	1	115.9260	0.000	1	115.8100	0.027	2	115.8100	0.027	2	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	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>}	115.4974	0.434	19	115.4974	0.188	19	115.5550	0.282	21	115.7396	1.019	22	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	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>}	116.9970	0.000	1	116.9970	0.000	1	115.5550	0.282	21	115.7396	1.019	22	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	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>}	C[5](N[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	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>}	115.2060	0.000	1	115.2060	0.000	1	115.5550	0.282	21	115.7396	1.019	22	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:2:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:S[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH)	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>}	C[5](N[5,5a]C[5,5a]N[5a])(S[5]C[5]OO)(H)2{2|C<3>,2|H<1>}	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>}	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	115.7396	1.019	22	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:3:1:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-3:H-1:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,3|C<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){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	115.0300	0.164	4	115.0300	0.027	4	115.0300	0.027	4	115.0300	0.027	4	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:3:2:1:	3:2:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[6a]-3:S[5]-2:H-1:	N[5,5a]-3:N[5a]-2:C[5]-3:	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N)	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N){1|N<2>,3|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(H){2|H<1>,3|C<3>,3|N<2>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N){1|H<1>,1|N<2>,2|C<3>}	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	114.0080	0.000	1	114.0080	0.000	1	113.7530	0.071	3	113.8311	0.058	10	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	113.6255	0.213	2	113.6255	0.045	2	113.7530	0.071	3	113.8311	0.058	10	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[4]-4:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,5|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	113.8311	0.058	10	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	113.8093	0.071	3	113.8288	0.060	6	113.8288	0.060	6	113.8311	0.058	10	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>,5|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	113.6820	0.000	1	113.8288	0.060	6	113.8288	0.060	6	113.8311	0.058	10	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	113.9315	0.497	2	113.8288	0.060	6	113.8288	0.060	6	113.8311	0.058	10	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	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>}	115.0600	0.000	1	115.0600	0.000	1	114.8740	0.069	2	114.5170	0.417	3	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2	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)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	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>}	114.6880	0.000	1	114.6880	0.000	1	114.8740	0.069	2	114.5170	0.417	3	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	3:4:3:	3:4:1:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	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>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<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){1|C<2>,2|C<3>,5|H<1>}	113.8030	0.000	1	113.8030	0.000	1	113.8030	0.000	1	114.5170	0.417	3	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,5a]	C[5]	C[5,5a]	4:3:2:	3:3:3:4:	3:3:3:	C[5]-4:C[5,5a]-3:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C[3]-4:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a]){3|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C){1|N<2>,5|C<3>,7|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	115.0398	4.454	148	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6,6a]	C[5]	C[5,6,6a]	4:3:4:	3:4:4:4:	4:3:2:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[5,3x6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	110.4490	0.235	2	110.4490	0.055	2	110.3732	0.016	6	110.3732	0.016	6	110.3732	0.016	6	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6,6a]	C[5]	C[5,6,6a]	4:3:4:	3:4:4:4:	4:3:2:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	B[6,6,6a]-4:N[5,6,6a]-3:O[5]-2:	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5])	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C[5,6,6a](B[6,6,6a]C[5,6,6a]C[6,6]C[6a])(N[5,6,6a]B[6,6,6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	110.3353	0.052	4	110.3353	0.003	4	110.3732	0.016	6	110.3732	0.016	6	110.3732	0.016	6	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[5,6a]	4:3:3:	3:4:2:1:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	N[5,6a]-3:N[6a]-2:O[5]-2:	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	112.6080	0.000	1	112.6080	0.000	1	112.7145	0.023	2	112.7145	0.023	2	112.7762	0.095	6	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[5,6a]	4:3:3:	3:4:2:1:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	N[5,6a]-3:N[6a]-2:O[5]-2:	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	112.8210	0.000	1	112.8210	0.000	1	112.7145	0.023	2	112.7145	0.023	2	112.7762	0.095	6	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,6a]-3:N[6a]-2:O[5]-2:	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]O[5]CH)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	112.7600	0.000	1	112.7600	0.000	1	112.7600	0.000	1	112.7600	0.000	1	112.7762	0.095	6	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[5,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a])	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	113.0700	0.267	2	113.0700	0.071	2	113.0700	0.071	2	113.0700	0.071	2	112.7762	0.095	6	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5,5]	C[5,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[6a]-3:N[5,6a]-3:C[5]-4:	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[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)	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>}	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){2|C<3>,2|O<1>,4|H<1>}	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>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.7762	0.095	6	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	113.5180	0.000	1	113.5180	0.000	1	113.5180	0.000	1	113.5180	0.000	1	113.5180	0.000	1	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,6|H<1>}	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.8064	0.485	14	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[3x6a]-3:C[5,6a]-3:	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|N<2>,4|C<3>,5|H<1>}	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	110.8064	0.485	14	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]N[5,6a]HH)(H)2{4|C<3>}	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	110.8064	0.485	14	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	110.6490	0.074	2	110.6117	0.219	10	110.6117	0.219	10	110.8064	0.485	14	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	110.6320	0.776	3	110.6117	0.219	10	110.6117	0.219	10	110.8064	0.485	14	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,6|H<1>}	110.4515	0.363	4	110.6117	0.219	10	110.6117	0.219	10	110.8064	0.485	14	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	111.1170	0.000	1	110.6117	0.219	10	110.6117	0.219	10	110.8064	0.485	14	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	110.8064	0.485	14	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	110.3420	0.000	1	110.7754	0.465	15	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5,6]-3:H-1:H-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	114.4545	1.049	2	114.4545	1.100	2	114.4545	1.100	2	114.4545	1.100	2	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5]){1|O<1>,2|H<1>,7|C<3>}	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	113.4660	0.000	1	113.4660	0.000	1	113.4660	0.000	1	113.4660	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	112.0953	0.379	3	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	111.4920	0.000	1	111.4920	0.000	1	111.7820	0.168	2	112.0953	0.379	3	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	112.0720	0.000	1	112.0720	0.000	1	111.7820	0.168	2	112.0953	0.379	3	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:N[5]-3:C-4:O-2:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC){2|C<3>,2|O<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:C-4:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	111.7990	0.000	1	111.7030	0.018	2	111.7030	0.018	2	111.7267	0.011	3	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:C-4:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,4|C<3>}	111.6070	0.000	1	111.7030	0.018	2	111.7030	0.018	2	111.7267	0.011	3	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-3:C-4:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC){1|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,5|C<3>}	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	111.7267	0.011	3	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(S[5]C[5]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	117.1300	0.000	1	117.1300	0.000	1	117.1020	0.001	3	117.1020	0.001	3	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]N[6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]N[6a])(S[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	117.0880	0.025	2	117.0880	0.001	2	117.1020	0.001	3	117.1020	0.001	3	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	113.5640	0.000	1	113.3410	0.099	2	113.3410	0.099	2	113.3410	0.099	2	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	113.1180	0.000	1	113.3410	0.099	2	113.3410	0.099	2	113.3410	0.099	2	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	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>}	113.1350	0.000	1	113.1350	0.000	1	112.9790	0.015	5	112.9790	0.015	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>}	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>}	112.9640	0.000	1	112.9640	0.000	1	112.9790	0.015	5	112.9790	0.015	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	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>}	112.8790	0.113	2	112.8790	0.013	2	112.9790	0.015	5	112.9790	0.015	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	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>}	113.0380	0.000	1	113.0380	0.000	1	112.9790	0.015	5	112.9790	0.015	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5])	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]){1|O<1>,3|C<3>,5|H<1>}	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	113.7783	5.900	7	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	115.5072	0.487	4	115.5072	0.237	4	115.5072	0.237	4	113.7783	5.900	7	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	112.5350	0.137	2	112.5350	0.019	2	112.5350	0.019	2	113.7783	5.900	7	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]Cu)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|Cu<5>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Cu<5>,1|O<1>,2|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]Cu){1|O<1>,3|C<3>,5|H<1>}	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	110.8368	0.483	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	111.1510	0.000	1	111.1510	0.000	1	111.0430	0.029	3	110.8368	0.483	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	110.8480	0.000	1	110.8480	0.000	1	111.0430	0.029	3	110.8368	0.483	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|O<1>,4|H<1>}	111.1300	0.000	1	111.1300	0.000	1	111.0430	0.029	3	110.8368	0.483	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[5]-3:N[6a]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2){2|O<1>,4|H<1>,5|C<3>}	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	110.8368	0.483	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	112.1750	0.321	6	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	112.0080	0.420	4	112.0080	0.176	4	111.9866	0.134	5	112.1750	0.321	6	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	111.9010	0.000	1	111.9010	0.000	1	111.9866	0.134	5	112.1750	0.321	6	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	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>}	113.2030	0.000	1	113.2030	0.000	1	113.0020	0.081	2	113.0020	0.081	2	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	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>}	112.8010	0.000	1	112.8010	0.000	1	113.0020	0.081	2	113.0020	0.081	2	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:O-2:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<2>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	114.9250	0.000	1	115.3527	0.506	6	115.3527	0.506	6	115.3527	0.506	6	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	115.6150	0.000	1	115.3527	0.506	6	115.3527	0.506	6	115.3527	0.506	6	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	115.3940	0.870	4	115.3527	0.506	6	115.3527	0.506	6	115.3527	0.506	6	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-3:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(COO)(H){2|C<3>,2|O<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-4:H-1:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH){1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-4:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H){1|O<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:4:2:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[5]-4:N[6a]-2:	N[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]C[6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[5]C[5]HH)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{1|C<3>,1|N<2>}	C[5,6a](N[5,6a]N[6a]C[5])(N[6a]C[6a])(S[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	117.3570	0.413	2	117.3570	0.171	2	117.3570	0.171	2	117.3570	0.171	2	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	112.9890	0.000	1	112.9890	0.000	1	112.8578	0.052	5	112.8578	0.052	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	112.9550	0.000	1	112.8250	0.063	4	112.8578	0.052	5	112.8578	0.052	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	112.7817	0.287	3	112.8250	0.063	4	112.8578	0.052	5	112.8578	0.052	5	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CNO)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	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>}	114.1470	0.000	1	114.1470	0.000	1	114.1470	0.000	1	114.1470	0.000	1	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP2_SP2_SP3	N[5,6a]	C[5]	C[5,6a]	4:3:4:	3:4:4:4:	4:3:2:	B[6a]-4:C[5,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-4:C-4:	B[6a]-4:N[5,6a]-3:O[5]-2:	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5])	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|N<3>,2|C<3>}	C[5,6a](B[6a]C[5,6a]C[6a]C)(N[5,6a]B[6a]C[5])(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.4933	0.522	4	108.4933	0.272	4	108.4933	0.272	4	108.4933	0.272	4	113.1580	5.314	64	113.9372	5.984	272
813	474	727	5:SP3_SP2_SP3	N[5,5a]	C[5,6]	C[5,5a]	4:3:3:	3:4:3:2:	3:2:2:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6])	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1
813	474	727	6:SP2_SP2_SP3	N[5,5a,6]	C[5,6]	C[5a,6]	3:4:3:	3:3:4:1:	3:3:3:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	N[5,5a,6]-3:C[5,6a]-3:C[6]-4:H-1:	N[5,5a,6]-3:C[5a]-3:C[6]-3:	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H)	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	C[5,6](N[5,5a,6]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	130.8610	0.000	1	130.8610	0.000	1	130.8610	0.000	1	130.8610	0.000	1	130.8610	0.000	1	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6,6]	C[5,6,6]	C[5a,6,6]	3:3:4:	3:3:3:1:	3:3:4:	C[5a,6,6]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:N[5a,6,6]-3:Br-1:	C[5a,6,6]-3:N[5a,6,6]-3:C[5,6,6]-4:	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[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(N[5a,6,6]C[5a,6,6]2)(Br)	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)	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>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(N[5a,6,6]C[5a,6,6]2)(Br){2|C<4>,6|C<3>}	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>}	124.0420	0.000	1	124.0420	0.000	1	124.0420	0.000	1	124.0420	0.000	1	124.0420	0.000	1	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	N[5a,6]-3:C[5,6a]-3:N[5,6]-3:C-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO){2|H<1>,3|O<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	3:3:4:	3:3:4:4:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	N[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	3:4:3:	3:4:2:1:	3:2:4:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	N[5a,6]-3:C[5,5]-4:O[5,6]-2:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(C[6]C[5,6]HH)	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(C[6]C[5,6]HH){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:2:	3:4:4:2:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5,5]-4:C[6]-4:O[5]-2:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5])	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){2|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,5]C[5,5]O[5]H)(C[6]O[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|O<2>,2|C<4>}	125.6520	0.000	1	125.6520	0.000	1	125.6520	0.000	1	125.6520	0.000	1	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:2:	3:4:4:4:	3:4:3:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3)	C[5a,6](N[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)(C[5a]C[5a]C)	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,4|C<4>}	125.1350	0.643	2	125.1350	0.414	2	125.1350	0.414	2	125.1350	0.414	2	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|C<4>,1|N<2>,2|C<3>}	125.0580	0.301	2	125.0580	0.091	2	125.0580	0.091	2	125.0580	0.091	2	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H){1|C<4>,5|C<3>}	126.2460	0.000	1	126.2460	0.000	1	126.2460	0.000	1	126.0347	0.041	3	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H){1|C<4>,5|C<3>}	125.9290	0.122	2	125.9290	0.015	2	125.9290	0.015	2	126.0347	0.041	3	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:3:3:3:	3:4:3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,8|C<3>}	123.6930	0.000	1	123.6930	0.000	1	123.6930	0.000	1	123.6930	0.000	1	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	122.5275	0.455	2	122.5275	0.207	2	122.5275	0.207	2	122.5275	0.207	2	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:3:4:3:	4:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-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)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	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)	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>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	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>}	126.7157	0.313	3	126.7157	0.098	3	126.7157	0.098	3	126.7157	0.098	3	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:2:1:	3:3:2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6])	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]){1|N<2>,2|C<4>,3|H<1>}	126.2220	0.091	4	126.2220	0.008	4	126.2220	0.008	4	126.2220	0.008	4	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	124.9580	0.218	5	124.6429	0.928	10	125.4032	0.977	24	125.4032	0.977	24	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	125.8950	0.000	1	124.6429	0.928	10	125.4032	0.977	24	125.4032	0.977	24	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	123.6697	1.275	3	124.6429	0.928	10	125.4032	0.977	24	125.4032	0.977	24	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	124.7350	0.000	1	124.6429	0.928	10	125.4032	0.977	24	125.4032	0.977	24	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	125.8155	0.576	11	125.9464	0.323	14	125.4032	0.977	24	125.4032	0.977	24	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	126.4010	0.000	2	125.9464	0.323	14	125.4032	0.977	24	125.4032	0.977	24	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:N[5]-2:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[6]S[5]H)(N[5]C[5])(H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	126.4760	0.000	1	125.9464	0.323	14	125.4032	0.977	24	125.4032	0.977	24	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){2|Br<1>,2|C<4>,2|H<1>}	121.5930	0.000	1	123.0648	1.236	4	123.0648	1.236	4	123.0648	1.236	4	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	123.5553	0.640	3	123.0648	1.236	4	123.0648	1.236	4	123.0648	1.236	4	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	4:3:2:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,5,6]-4:N[5a,6]-3:O[5]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6](C[5,5,6]N[5,6]C[5]N[5])(N[5a,6]C[5a,6]C[5a])(O[5]C[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	125.0840	0.000	1	125.0840	0.000	1	125.0840	0.000	1	125.0840	0.000	1	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,5,6]-4:N[5a,6]-3:N[5]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,6]N[5])(N[5a,6]C[5a,6]C[5a])(N[5]C[5]H)(H){1|Br<1>,1|H<1>,1|S<2>,3|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<3>,2|C<4>}	123.4680	0.000	2	123.4680	0.000	2	123.4680	0.000	2	123.4680	0.000	2	125.0459	1.895	51	124.9902	3.595	54
813	474	727	6:SP3_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	120.6720	8.972	2
813	474	727	6:SP3_SP2_SP3	N[5a,6]	C[5,6]	C[5a,6]	4:3:3:	3:3:4:3:	4:3:3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-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)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	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)	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>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	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>}	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	120.6720	8.972	2
813	474	811	0:SP2_SP3_SP3	N[5,6,6a]	C[5]	B[6,6,6a]	4:3:4:	3:4:4:4:	3:3:4:3:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	N[5,6,6a]-3:N[5,6,6a]-3:C[6,6]-4:C[6a]-3:	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>}	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>,3|H<1>,6|C<4>}	134.2183	0.460	4	134.2183	0.212	4	134.2183	0.212	4	134.2183	0.212	4	134.0787	0.505	6	130.6047	20.435	10
813	474	811	0:SP2_SP3_SP3	N[5,6,6a]	C[5]	B[6,6,6a]	4:3:4:	3:4:4:4:	4:3:3:3:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	C[5,3x6]-4:N[5,6,6a]-3:N[5,6,6a]-3:C[6a]-3:	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2)	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>}	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,2|O<2>,4|H<1>,9|C<4>}	133.7995	1.286	2	133.7995	1.654	2	133.7995	1.654	2	133.7995	1.654	2	134.0787	0.505	6	130.6047	20.435	10
813	474	811	0:SP2_SP3_SP3	N[5,6a]	C[5]	B[6a]	4:3:4:	3:4:4:4:	3:3:3:3:	B[6a]-4:C[5,6a]-3:C[5]-4:	N[5,6a]-3:C[5]-4:C-4:C-4:	N[5,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|N<3>,2|C<3>}	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|O<2>,4|C<3>,4|H<1>,6|C<4>}	125.3937	0.349	4	125.3937	0.121	4	125.3937	0.121	4	125.3937	0.121	4	125.3937	0.121	4	130.6047	20.435	10
813	474	813	0:SP2_SP2_SP3	N[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:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[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])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H){1|C<4>,2|C<3>,2|H<1>}	118.9180	0.000	1	119.7785	1.481	2	119.7785	1.481	2	119.7785	1.481	2	119.1190	2.045	3	119.1190	2.045	3
813	474	813	0:SP2_SP2_SP3	N[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:N[5a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	N[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])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H){1|C<4>,2|C<3>,2|H<1>}	120.6390	0.000	1	119.7785	1.481	2	119.7785	1.481	2	119.7785	1.481	2	119.1190	2.045	3	119.1190	2.045	3
813	474	813	0:SP2_SP2_SP3	N[5a]	C[5]	N[5a]	4:3:3:	4:3:4:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[3,5]-4:N[5a]-3:C[5]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]O)(H)	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]O)(H){1|H<1>,1|O<1>,3|C<4>}	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	119.1190	2.045	3	119.1190	2.045	3
813	474	813	0:SP3_SP3_SP3	N[5a]	C[5,5]	N[5a]	4:3:3:	4:4:3:3:	3:3:1:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5,5,6]-4:C[5,5,6]-4:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC)	N[5a](N[5a]C[5,5]C[5a])(C[5a]N[5a]O)(H)	N[5a](C[5,5]C[5,5,6]2C)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5,5]C[5a])(C[5a]N[5a]O)(H){1|O<1>,2|C<3>,2|C<4>}	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1
813	474	813	5:SP2_SP2_SP3	N[5,5a]	C[5,6]	N[5,5a]	4:3:3:	3:3:2:1:	4:3:3:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O)	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,5a](C[5,6]C[6,6a]O[5,6]H)(N[5,5a]C[5,6]C[5a])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	104.8060	0.000	1	104.8060	0.000	1	104.8060	0.000	1	104.8060	0.000	1	104.8060	0.000	1	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[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:	N[5,5a]-3:C[5]-3:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(COO)(H){1|N<3>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N){2|H<1>,3|C<3>}	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.3190	0.035	3	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:1:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	109.3190	0.035	3	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[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:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,4|C<3>}	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	109.3190	0.035	3	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,5|C<3>}	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:3:4:	3:3:3:2:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH){1|H<1>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	111.5960	0.320	2	111.5960	0.102	2	111.5960	0.102	2	111.5960	0.102	2	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,4|C<3>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.5280	0.000	1	110.5672	0.042	6	110.5672	0.042	6	110.5902	0.041	8	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.5770	0.263	4	110.5672	0.042	6	110.5672	0.042	6	110.5902	0.041	8	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,4|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.5670	0.000	1	110.5672	0.042	6	110.5672	0.042	6	110.5902	0.041	8	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	110.4790	0.000	1	110.4790	0.000	1	110.6595	0.065	2	110.5902	0.041	8	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<3>,1|O<1>,5|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N){1|H<1>,1|O<1>,4|C<3>}	110.8400	0.000	1	110.8400	0.000	1	110.6595	0.065	2	110.5902	0.041	8	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:4:3:	3:3:3:1:	3:4:3:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:P[5]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,8|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,6|C<3>}	113.7125	0.829	2	113.7125	0.688	2	113.7125	0.688	2	113.7125	0.688	2	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:4:3:	3:4:3:1:	3:4:3:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Pd<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Pd<4>,1|H<1>,1|O<1>,6|C<3>}	114.3250	0.561	2	114.3250	0.315	2	114.2183	4.607	10	114.2183	4.607	10	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP2_SP2_SP3	N[5,6a]	C[5]	N[5,6a]	3:4:3:	3:4:3:1:	3:4:3:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:P[5]-4:C[6a]-3:H-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Rh<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,6a]N[5,6a]C[6a])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Rh<4>,1|H<1>,1|O<1>,6|C<3>}	114.1916	2.424	8	114.1916	5.874	8	114.2183	4.607	10	114.2183	4.607	10	112.5453	4.907	23	111.9002	7.228	27
813	474	813	5:SP3_SP3_SP3	N[5,5a,6]	C[5,6,6]	N[5,5a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,6,6]-4:B[5a,6]-3:N[5,5a]-3:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	N[5,5a,6]-3:B[5]-3:C[5a]-3:	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5])	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O)	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5]){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	N[5,5a](N[5,5a,6]C[5,6,6]B[5a,6])(B[5]C[5,6]C[6a])(C[5a]O[5a]O){1|C<4>,1|H<1>,5|C<3>}	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	109.7173	3.115	9
813	474	813	5:SP3_SP3_SP3	N[5,5a]	C[3x5]	N[5,5a]	4:3:3:	4:4:3:1:	4:3:3:	C[3x5]-4:N[5,5a]-3:C[5a]-3:	C[3x5,6]-4:C[5,5,6]-4:N[5,5a]-3:H-1:	C[5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H)	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O)	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[3x5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	106.5860	0.000	1	106.5860	0.000	1	106.5860	0.000	1	106.5860	0.000	1	106.5860	0.000	1	109.7173	3.115	9
813	474	813	5:SP3_SP3_SP3	N[5,5a]	C[5,5]	N[5,5a]	4:3:3:	3:4:3:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,5,6]-4:C[5,5]-3:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O)	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5,6]C[5,5,6]2H)(C[5,5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	109.8580	1.500	2	109.7173	3.115	9
813	474	813	5:SP3_SP3_SP3	N[5,5a]	C[5,5]	N[5,5a]	4:3:3:	3:4:4:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O)	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	109.8580	1.500	2	109.7173	3.115	9
813	474	813	5:SP3_SP3_SP3	N[5,5a]	C[5]	N[5,5a]	3:3:4:	3:4:3:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a]-3:C[5]-4:C-3:C-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC)	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	109.8648	2.251	5	109.7173	3.115	9
813	474	813	5:SP3_SP3_SP3	N[5,5a]	C[5]	N[5,5a]	3:4:3:	3:3:3:3:	4:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]2)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	N[5,5a](C[5,5]C[5,5,6]C[5,5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	109.8648	2.251	5	109.7173	3.115	9
813	474	813	5:SP3_SP3_SP3	N[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:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]N[5a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,3|H<1>}	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	109.8648	2.251	5	109.7173	3.115	9
813	474	813	5:SP3_SP3_SP3	N[5,5a]	C[5]	N[5,5a]	3:4:3:	3:4:4:1:	4:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	109.8648	2.251	5	109.7173	3.115	9
813	474	813	5:SP3_SP3_SP3	N[5,5a]	C[5]	N[5,5a]	4:3:3:	4:3:3:3:	4:3:3:	C[5]-4:N[5,5a]-3:C[5a]-3:	C[3x5,6]-4:N[5,5a]-3:C[6a]-3:C[6a]-3:	C[3x5]-4:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O)	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O)	N[5,5a](C[5]C[3x5,6]C[6a]2)(N[5,5a]C[3x5]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,7|C<3>,7|H<1>}	N[5,5a](C[3x5]C[3x5,6]C[5,5,6]H)(N[5,5a]C[5a]C[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	109.8648	2.251	5	109.7173	3.115	9
813	474	813	6:SP2_SP2_SP3	N[5a,6]	C[5,6,6]	N[5a,6]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	123.7820	0.000	1	123.7820	0.000	1	123.7820	0.000	1	123.7820	0.000	1	123.7820	0.000	1	117.1804	15.973	5
813	474	813	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:3:3:	3:4:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	115.5300	3.139	4	117.1804	15.973	5
813	474	813	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:4:3:	3:3:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	114.8700	0.000	1	114.8700	0.000	1	114.8700	0.000	1	114.8700	0.000	1	115.5300	3.139	4	117.1804	15.973	5
813	474	813	6:SP2_SP2_SP3	N[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	115.9640	2.926	2	115.9640	8.562	2	115.9640	8.562	2	115.9640	8.562	2	115.5300	3.139	4	117.1804	15.973	5
813	474	813	6:SP2_SP3_SP3	N[5,5a,6]	C[5,5,6]	N[5,5a,6]	3:4:3:	3:4:4:1:	3:4:3:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	110.5390	44.274	2
813	474	813	6:SP2_SP3_SP3	N[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:3:3:	3:4:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6a]-3:N[5a,6]-3:C[5,6]-3:C[5]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	N[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	110.5390	44.274	2
813	474	813	6:SP3_SP2_SP3	N[5,5a,6]	C[5,5,6]	N[5,5a,6]	3:4:3:	3:4:4:1:	3:4:3:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O)	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[5,5a,6](N[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]O){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	104.3380	0.000	1	113.3730	163.262	2
813	474	813	6:SP3_SP2_SP3	N[5a,6]	C[5,6,6]	N[5a,6]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5a,6]-3:C[5a]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	N[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]S[5,5]H)(C[5,6,6]N[5,5,6]C[6]H)(N[5a,6]N[5a,6]C[5a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<1>}	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	122.4080	0.000	1	122.4080	0.000	1	122.4080	0.000	1	122.4080	0.000	1	122.4080	0.000	1	113.3730	163.262	2
813	474	813	6:SP3_SP3_SP3	N[5a,6]	C[5,6]	N[5a,6]	4:3:3:	3:3:3:4:	3:3:4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4,5]	C[5a,6a]	3:4:3:	3:4:4:2:	3:3:2:	C[5a,6a]-3:C[4,5]-4:C[5a]-3:	N[5a]-3:C[4,5]-4:C[4]-4:O[5]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H)	C[4,5](N[5a]C[5a,6a]C[5a])(C[4,5]C[5]O[4]H)(C[4]O[4]HH)(O[5]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[4,5]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[4,5](N[5a]C[5a,6a]C[5a])(C[4,5]C[5]O[4]H)(C[4]O[4]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[4,5]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	130.6640	0.000	1	130.6640	0.000	1	130.6640	0.000	1	130.6640	0.000	1	130.6640	0.000	1	126.3422	7.528	10
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4,5]	C[5a]	3:4:3:	3:4:4:2:	3:2:1:	C[5a,6a]-3:C[4,5]-4:C[5a]-3:	N[5a]-3:C[4,5]-4:C[4]-4:O[5]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H)	C[4,5](N[5a]C[5a,6a]C[5a])(C[4,5]C[5]O[4]H)(C[4]O[4]HH)(O[5]C[5])	C[5a](N[5a]C[5a,6a]C[4,5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[4,5](N[5a]C[5a,6a]C[5a])(C[4,5]C[5]O[4]H)(C[4]O[4]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[4,5])(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	126.3422	7.528	10
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[4]-4:C[5a]-3:	N[5a]-3:C[4]-4:O[4]-2:D-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]D)(C[5a]N[5a]D)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]DD)(O[4]C[4])(D)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]D)(C[5a]N[5a]D){1|C<4>,2|C<3>,2|D<1>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]DD)(O[4]C[4])(D){1|C<3>,1|C<4>,2|D<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|D<1>}	123.5940	0.000	1	123.5940	0.000	1	123.5940	0.000	1	124.4143	0.533	3	124.4143	0.533	3	126.3422	7.528	10
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[4]-4:C[5a]-3:	N[5a]-3:C[4]-4:O[4]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HH)(O[4]C[4])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HH)(O[4]C[4])(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	124.6570	0.000	1	124.6570	0.000	1	124.8245	0.056	2	124.4143	0.533	3	124.4143	0.533	3	126.3422	7.528	10
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[4]-4:C[5a]-3:	N[5a]-3:C[4]-4:O[4]-2:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(O[4]C[4])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(O[4]C[4])(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	124.9920	0.000	1	124.9920	0.000	1	124.8245	0.056	2	124.4143	0.533	3	124.4143	0.533	3	126.3422	7.528	10
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4]	C[5a]	3:3:4:	4:3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:C[4]-4:	C[4]-4:N[5a]-3:C[4]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[4]C[4]2H)	C[4](C[4]C[6a]N[4]H)(N[5a]C[5a]2)(C[4]N[4]O)(H)	C[5a](N[5a]C[5a]C[4])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)2(C[4]C[4]2H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[4](C[4]C[6a]N[4]H)(N[5a]C[5a]2)(C[4]N[4]O)(H){2|C<4>,5|C<3>}	C[5a](N[5a]C[5a]C[4])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	125.1615	1.928	2	125.1615	3.718	2	125.1615	3.718	2	125.1615	3.718	2	127.3124	5.166	5	126.3422	7.528	10
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	N[5a]-3:C[4]-4:O[4]-2:D-1:	N[5a]-3:N[5a]-2:D-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]D)(C[5a]N[5a]D)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]DD)(O[4]C[4])(D)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(D)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]D)(C[5a]N[5a]D){1|C<4>,2|C<3>,2|D<1>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]DD)(O[4]C[4])(D){1|C<3>,1|C<4>,2|D<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(D){1|C<3>,1|C<4>,1|D<1>,1|N<2>,1|O<2>}	129.1560	0.000	1	129.1560	0.000	1	129.1560	0.000	1	128.7463	0.762	3	127.3124	5.166	5	126.3422	7.528	10
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	N[5a]-3:C[4]-4:O[4]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HH)(O[4]C[4])(H)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HH)(O[4]C[4])(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	129.3390	0.000	1	129.3390	0.000	1	128.5415	1.272	2	128.7463	0.762	3	127.3124	5.166	5	126.3422	7.528	10
813	478	727	0:SP2_SP2_SP3	N[5a]	C[4]	C[5a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	N[5a]-3:C[4]-4:O[4]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(O[4]C[4])(H)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4](N[5a]C[5a,6a]C[5a])(C[4]C[4]HO)(O[4]C[4])(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	127.7440	0.000	1	127.7440	0.000	1	128.5415	1.272	2	128.7463	0.762	3	127.3124	5.166	5	126.3422	7.528	10
813	478	727	0:SP3_SP2_SP3	N[5a]	C[4]	C[5a,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[4]-4:	N[5a]-3:N[4]-3:C[4]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H)	C[4](N[5a]C[5a,6a]C[5a,6])(N[4]C[6a]C[4])(C[4]C[4]CC)(H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[4](N[5a]C[5a,6a]C[5a,6])(N[4]C[6a]C[4])(C[4]C[4]CC)(H){1|O<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	120.3047	37.529	4
813	478	727	0:SP3_SP2_SP3	N[5a]	C[4]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[4]-4:	N[5a]-3:N[4]-3:C[4]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H)	C[4](N[5a]C[5a,6a]C[5a,6])(N[4]C[6a]C[4])(C[4]C[4]CC)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[4](N[5a]C[5a,6a]C[5a,6])(N[4]C[6a]C[4])(C[4]C[4]CC)(H){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	127.1160	0.000	1	127.1160	0.000	1	127.1160	0.000	1	124.0425	18.893	2	124.0425	18.893	2	120.3047	37.529	4
813	478	727	0:SP3_SP2_SP3	N[5a]	C[4]	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[4]-4:	N[5a]-3:N[4]-3:C[4]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H)	C[4](N[5a]C[5a,6a]C[5a])(N[4]C[6a]C[4])(C[4]C[4]CC)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H){1|H<1>,1|N<2>,1|N<3>,3|C<4>,4|C<3>}	C[4](N[5a]C[5a,6a]C[5a])(N[4]C[6a]C[4])(C[4]C[4]CC)(H){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.9690	0.000	1	120.9690	0.000	1	120.9690	0.000	1	124.0425	18.893	2	124.0425	18.893	2	120.3047	37.529	4
813	478	727	0:SP3_SP2_SP3	N[5a]	C[4]	C[5a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[4]-4:	N[5a]-3:N[4]-3:C[4]-4:H-1:	N[5a]-3:C[5a]-3:C[4]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H)	C[4](N[5a]C[5a,6a]C[5a])(N[4]C[6a]C[4])(C[4]C[4]CC)(H)	C[5a](N[5a]C[5a,6a]C[4])(C[5a]C[5a,6a]N)(C[4]C[4]N[4])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H){1|H<1>,1|N<2>,1|N<3>,3|C<4>,4|C<3>}	C[4](N[5a]C[5a,6a]C[5a])(N[4]C[6a]C[4])(C[4]C[4]CC)(H){1|O<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[4])(C[5a]C[5a,6a]N)(C[4]C[4]N[4]){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	120.3047	37.529	4
813	486	519	0:SP2_SP2_SP3	N[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:2:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	N[5a](N[5a]C[5a]C[3])(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){4|H<1>}	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,2|N<2>}	N[5a](N[5a]C[5a]C[3])(N[5a]N[5a]){2|C<4>,2|H<1>}	122.1840	0.000	1	122.1840	0.000	1	122.1840	0.000	1	122.1840	0.000	1	120.4620	1.466	5	120.4620	1.466	5
813	486	519	0:SP2_SP2_SP3	N[5a]	C[3]	N[5a]	3:4:2:	3:4:4:1:	3:3:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]CH)(C[3]C[3]HH)(H)	N[5a](N[5a]C[5a]C[3])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a]){1|C<3>,5|H<1>}	C[3](N[5a]C[5a]N[5a])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[3])(C[5a]C[5a]H){2|C<4>,3|H<1>}	120.7310	0.000	2	120.7310	0.000	2	120.7310	0.000	2	120.7310	0.000	2	120.4620	1.466	5	120.4620	1.466	5
813	486	519	0:SP2_SP2_SP3	N[5a]	C[3]	N[5a]	3:4:2:	3:4:4:3:	3:3:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:C[3]-4:C[3]-4:C-3:	N[5a]-3:C[5a]-3:	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(CC[6a]O)	N[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a]){5|H<1>}	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	N[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	119.3320	0.445	2	119.3320	0.198	2	119.3320	0.198	2	119.3320	0.198	2	120.4620	1.466	5	120.4620	1.466	5
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3,5]	C[5a]	4:3:3:	4:4:3:2:	3:2:1:	C[3,5]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:C[3,5]-4:N[5a]-3:O[3]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5])	C[5a](N[5a]C[3,5]C[5a])(N[5a]C[5a])(H)	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,4|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5]){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5a](N[5a]C[3,5]C[5a])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	125.9780	0.000	1	125.9780	0.000	1	125.9780	0.000	1	125.9780	0.000	1	126.5190	0.585	2	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3,5]	C[5a]	4:3:3:	4:4:3:2:	3:3:1:	C[3,5]-4:C[5a]-3:C[5a]-3:	C[5,6]-4:C[3,5]-4:N[5a]-3:O[3]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5])	C[5a](N[5a]C[3,5]C[5a])(C[5a]N[5a]H)(H)	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,4|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5]){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5a](N[5a]C[3,5]C[5a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	127.0600	0.000	1	127.0600	0.000	1	127.0600	0.000	1	127.0600	0.000	1	126.5190	0.585	2	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[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:	N[5a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H)	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H){2|C<3>,6|H<1>}	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	127.4450	0.000	1	127.4450	0.000	1	127.4450	0.000	1	126.6950	1.125	2	126.6950	1.125	2	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[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:	N[5a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H)	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3]){1|C<2>,2|H<1>,3|C<4>,4|C<3>}	125.9450	0.000	1	125.9450	0.000	1	125.9450	0.000	1	126.6950	1.125	2	126.6950	1.125	2	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[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:	N[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H)	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H){2|C<3>,6|H<1>}	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]H)(O){1|H<1>,2|C<3>,2|C<4>}	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	123.6457	1.124	3	126.9029	9.776	11	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C[3]-4:	N[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]O)(C[3]C[3]2H)	C[3](N[5a]C[5a]2)(C[3]C[3]HH)2(H)	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]O)(C[3]C[3]2H){1|C<3>,5|H<1>}	C[3](N[5a]C[5a]2)(C[3]C[3]HH)2(H){1|Se<1>,1|C<3>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]C)(O){1|Se<1>,2|C<4>,2|H<1>}	124.8430	0.000	1	124.8430	0.000	1	124.8430	0.000	1	123.6457	1.124	3	126.9029	9.776	11	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a]-3:C[5a]-3:C[3]-4:	N[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:N[5a]-3:Se-1:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]O)(C[3]C[3]2H)	C[3](N[5a]C[5a]2)(C[3]C[3]HH)2(H)	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a]H)(Se)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]O)(C[3]C[3]2H){1|C<3>,5|H<1>}	C[3](N[5a]C[5a]2)(C[3]C[3]HH)2(H){1|Se<1>,1|C<3>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a]H)(Se){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	123.6457	1.124	3	126.9029	9.776	11	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3]	C[5a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[3]-4:	N[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H)	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a]C[5a,6a]C[3])(C[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[3](N[5a]C[5a,6a]C[5a])(C[3]C[3]HH)2(H){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[3])(C[5a]C[5a,6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	126.9029	9.776	11	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3]	C[5a]	3:4:2:	3:4:4:1:	3:2:1:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(H)	C[5a](N[5a]N[5a]C[3])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){4|H<1>}	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(H){1|H<1>,2|N<2>}	C[5a](N[5a]N[5a]C[3])(N[5a]N[5a])(H){1|H<1>,2|C<4>}	129.4010	0.000	1	129.4010	0.000	1	129.4010	0.000	1	129.4010	0.000	1	126.9029	9.776	11	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3]	C[5a]	3:4:2:	3:4:4:1:	3:3:1:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:C[3]-4:C[3]-4:H-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[5a](N[5a]N[5a]C[3])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a]){1|C<3>,5|H<1>}	C[3](N[5a]C[5a]N[5a])(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,2|C<3>}	C[5a](N[5a]N[5a]C[3])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	127.2920	0.000	2	127.2920	0.000	2	127.2920	0.000	2	127.2920	0.000	2	126.9029	9.776	11	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3]	C[5a]	3:4:2:	3:4:4:3:	3:2:1:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:C[3]-4:C[3]-4:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a])	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(CC[6a]O)	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a]){5|H<1>}	C[3](N[5a]C[5a]N[5a])(C[3]C[3]HH)2(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H){1|C<3>,1|H<1>,2|C<4>}	131.9115	0.189	2	131.9115	0.036	2	131.9115	0.036	2	131.9115	0.036	2	126.9029	9.776	11	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3]	C[5a]	4:3:3:	3:3:2:3:	3:2:1:	C[3]-4:C[5a]-3:C[5a]-3:	C[3]-3:N[5a]-3:N[3]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO)	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a])(H)	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a])(H){1|N<2>,2|C<3>,2|H<1>}	126.4510	0.000	1	126.4510	0.000	1	126.4510	0.000	1	126.4510	0.000	1	126.9029	9.776	11	126.8240	7.126	15
813	486	727	0:SP2_SP2_SP3	N[5a]	C[3]	C[5a]	4:3:3:	3:3:2:3:	3:3:1:	C[3]-4:C[5a]-3:C[5a]-3:	C[3]-3:N[5a]-3:N[3]-2:C-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO)	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)(H)	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[3](C[3]C[6a]N[3])(N[5a]C[5a]2)(N[3]C[3])(COO){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	126.3720	0.000	1	126.3720	0.000	1	126.3720	0.000	1	126.3720	0.000	1	126.9029	9.776	11	126.8240	7.126	15
813	486	727	5:SP2_SP2_SP3	N[5,6a]	C[3,5]	C[5,6a]	3:4:2:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[3,5]-4:N[6a]-2:	N[5,6a]-3:C[5]-4:C[3]-4:C[3]-4:	C[6a,6a]-3:N[5,6a]-3:O[5]-2:	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a])	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[3,5]N[6a])(O[5]C[5])	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a]){1|O<1>,4|C<3>,4|H<1>}	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2{6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[3,5]N[6a])(O[5]C[5]){1|H<1>,2|C<4>,5|C<3>}	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	122.6776	1.133	5	122.5489	0.499	19	122.5489	0.499	19	122.5489	0.499	19	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<1>}	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<1>}	121.9430	0.000	1	122.5489	0.499	19	122.5489	0.499	19	122.5489	0.499	19	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<2>}	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<2>}	122.4571	0.664	7	122.5489	0.499	19	122.5489	0.499	19	122.5489	0.499	19	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	C(N[5a]N[5a]2)(H)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	122.6497	0.359	6	122.5489	0.499	19	122.5489	0.499	19	122.5489	0.499	19	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CH3){1|C<3>,1|N<2>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|N<2>}	120.7850	0.000	1	120.9310	0.016	3	121.0295	0.049	4	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CH3){2|C<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|N<2>}	121.0100	0.000	1	120.9310	0.016	3	121.0295	0.049	4	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CH3){2|C<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	120.9980	0.000	1	120.9310	0.016	3	121.0295	0.049	4	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CH3){1|C<3>,1|N<2>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C){2|C<3>}	121.3250	0.000	1	121.3250	0.000	1	121.0295	0.049	4	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C){2|C<3>}	122.7243	0.638	3	122.7243	0.408	3	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	124.4215	1.763	2	124.4215	3.108	2	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<1>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	122.8220	0.000	1	123.0285	0.323	14	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<2>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	123.1046	0.718	7	123.0285	0.323	14	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	122.9742	0.448	6	123.0285	0.323	14	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	121.6900	0.000	1	121.8472	0.070	5	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	121.8865	0.289	4	121.8472	0.070	5	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C){1|C<3>,2|N<2>}	121.9007	0.075	3	121.9007	0.006	3	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|N<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|N<3>,2|C<3>}	122.1120	0.000	1	121.6945	0.349	2	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	121.2770	0.000	1	121.6945	0.349	2	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	122.6200	0.000	1	122.6200	0.000	1	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|N<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C){1|C<3>}	122.3270	0.000	1	121.9043	0.811	3	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|N<3>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C){1|N<3>}	121.6930	1.164	2	121.9043	0.811	3	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:1:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|P<4>}	C(N[5a]N[5a]2)(H)3	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C){1|P<4>}	121.9205	0.672	2	121.9205	0.452	2	122.5690	0.835	35	122.4111	0.975	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CN)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]N[5a]2)(CN)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	122.0730	0.000	2	122.0730	0.000	2	122.0730	0.000	2	122.3150	0.316	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	C(N[5a]N[5a]2)(OC[6a])(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|C<3>}	C(N[5a]N[5a]2)(OC[6a])(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	123.1550	0.000	1	123.1550	0.000	1	123.1550	0.000	1	122.3150	0.316	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS)	C(N[5a]N[5a]2)(SC)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS){1|O<2>}	C(N[5a]N[5a]2)(SC)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|O<2>}	121.9590	0.000	1	121.9590	0.000	1	121.9590	0.000	1	122.3150	0.316	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]N[5a]2)(CN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	123.1210	0.000	2	123.1210	0.000	2	123.1210	0.000	2	123.1877	0.071	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	C(N[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|C<3>}	C(N[5a]N[5a]2)(OC[6a])(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	122.9420	0.000	1	122.9420	0.000	1	122.9420	0.000	1	123.1877	0.071	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:2:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS)	C(N[5a]N[5a]2)(SC)(H)2	N[5a](C[5a]N[5a]O)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS){1|O<2>}	C(N[5a]N[5a]2)(SC)(H)2	N[5a](C[5a]N[5a]O)(N[5a]N[5a]C)	123.5670	0.000	1	123.5670	0.000	1	123.5670	0.000	1	123.1877	0.071	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|N<3>}	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	122.1383	0.498	3	122.1383	0.248	3	122.1383	0.248	3	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	122.3865	0.070	2	122.7992	0.150	5	122.7992	0.150	5	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	122.9430	0.000	1	122.7992	0.150	5	122.7992	0.150	5	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|H<1>}	123.1400	0.024	2	122.7992	0.150	5	122.7992	0.150	5	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	122.7700	0.000	1	122.5790	0.073	2	122.5790	0.073	2	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]N[5a]2)(COO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	122.3880	0.000	1	122.5790	0.073	2	122.5790	0.073	2	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH)	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH){1|N<3>}	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	123.0113	0.725	8	123.0113	0.526	8	123.0113	0.526	8	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN)	C(N[5a]N[5a]2)(NOO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN){1|N<3>}	C(N[5a]N[5a]2)(NOO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]N[5a]2)2(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]N[5a]2)2(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	122.6670	0.223	2	122.6670	0.050	2	122.6670	0.050	2	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH)	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH){1|C<3>}	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	122.0410	0.000	1	122.0410	0.000	1	122.0410	0.000	1	122.6703	0.385	22	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	121.2507	0.551	4	121.2507	0.304	4	121.2507	0.304	4	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|N<3>}	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	123.3047	0.399	3	123.3047	0.159	3	123.3047	0.159	3	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]C){3|C<3>}	121.5670	0.000	1	121.5670	0.000	1	121.5700	0.000	2	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|C<3>,1|O<1>,1|O<2>}	121.5730	0.000	1	121.5730	0.000	1	121.5700	0.000	2	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	123.2780	0.444	2	123.2780	0.197	2	122.3864	0.629	17	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	123.0830	0.000	1	123.0830	0.000	1	122.3864	0.629	17	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	123.6920	0.610	2	123.6920	0.372	2	122.3864	0.629	17	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]2)(N[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	121.8888	0.619	4	121.8888	0.384	4	122.3864	0.629	17	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	122.0285	0.023	2	122.0285	0.001	2	122.3864	0.629	17	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]HH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	121.9890	0.364	6	121.9890	0.132	6	122.3864	0.629	17	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	C(N[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(N[5a]N[5a]2)(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	121.1155	0.477	2	121.1155	0.228	2	121.2968	0.120	4	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(N[5a]N[5a]2)(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	121.4780	0.034	2	121.4780	0.001	2	121.2968	0.120	4	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	122.6500	0.000	1	122.6500	0.000	1	122.2350	0.355	6	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]N[5a]2)(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	122.8160	0.000	1	122.8160	0.000	1	122.2350	0.355	6	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHH)	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHH){1|C<4>,1|H<1>}	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C){1|C<4>,1|O<2>,2|H<1>}	122.7200	0.000	1	122.7200	0.000	1	122.2350	0.355	6	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHH)	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	121.5300	0.000	1	121.5300	0.000	1	122.2350	0.355	6	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHH)	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	122.1870	0.000	1	121.8470	0.231	2	122.2350	0.355	6	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHH)	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHH){1|C<4>,1|H<1>}	C(N[5a]N[5a]2)(CCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<4>}	121.5070	0.000	1	121.8470	0.231	2	122.2350	0.355	6	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH)	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH){1|N<3>}	C(N[5a]N[5a]2)(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	122.6365	0.683	8	122.6365	0.466	8	122.6365	0.466	8	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN)	C(N[5a]N[5a]2)(NOO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN){1|N<3>}	C(N[5a]N[5a]2)(NOO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	124.1580	0.000	1	124.1580	0.000	1	122.6675	0.690	11	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CHHN)	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CHHN){1|Br<1>,1|C<3>}	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]Br)(N[5a]N[5a]C){1|C<3>}	121.4120	0.000	1	121.4120	0.000	1	122.6675	0.690	11	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CHHN)	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CHHN){1|Br<1>,1|C<3>}	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|Br<1>,2|C<3>}	123.5260	0.000	1	122.3560	0.510	5	122.6675	0.690	11	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CHHN)	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CHHN){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	122.0635	0.331	4	122.3560	0.510	5	122.6675	0.690	11	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CHHN)	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CHHN){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(NCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	122.9980	0.215	4	122.9980	0.046	4	122.6675	0.690	11	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]N[5a]2)2(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]N[5a]2)2(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	123.1310	0.274	2	123.1310	0.075	2	123.1310	0.075	2	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH)	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH){1|C<3>}	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	124.2290	0.000	1	124.2290	0.000	1	124.2290	0.000	1	122.3819	0.762	58	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:2:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:O-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO){1|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	121.6640	0.000	1	121.6640	0.000	1	121.6640	0.000	1	121.6640	0.000	1	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:2:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	120.9540	0.501	2	120.9540	0.251	2	121.8840	1.390	4	122.3668	2.208	5	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:2:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	122.8140	0.677	2	122.8140	0.459	2	121.8840	1.390	4	122.3668	2.208	5	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:2:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:O-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO){1|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	124.2980	0.000	1	124.2980	0.000	1	124.2980	0.000	1	122.3668	2.208	5	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]CH){2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	120.8440	0.595	2	120.8440	0.354	2	120.8440	0.354	2	121.7218	3.651	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	121.3300	0.000	1	121.3300	0.000	1	121.9940	0.882	2	121.7218	3.651	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	122.6580	0.000	1	122.6580	0.000	1	121.9940	0.882	2	121.7218	3.651	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-3:N-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHN)	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHN){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	119.6260	0.000	1	119.6260	0.000	1	122.3275	14.596	2	121.7218	3.651	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:3:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-3:N-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHN)	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHN){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(CCI)(NCS)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	125.0290	0.000	1	125.0290	0.000	1	122.3275	14.596	2	121.7218	3.651	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]N[5a]2)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3){1|C<3>}	C(C[6a]C[6a]2)3(N[5a]N[5a]2)	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	124.1970	0.188	2	124.1970	0.035	2	124.1970	0.035	2	124.1970	0.035	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3)	C(C[6a]C[6a]2)3(N[5a]N[5a]2)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3){1|C<3>}	C(C[6a]C[6a]2)3(N[5a]N[5a]2)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	122.0585	0.182	2	122.0585	0.033	2	122.0585	0.033	2	122.0585	0.033	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	119.1890	0.000	1	119.1890	0.000	1	122.0690	6.403	4	122.0690	6.403	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	125.0280	0.000	1	125.0280	0.000	1	122.0690	6.403	4	122.0690	6.403	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	123.0680	0.000	1	123.0680	0.000	1	122.0690	6.403	4	122.0690	6.403	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:3:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	120.9910	0.000	1	120.9910	0.000	1	122.0690	6.403	4	122.0690	6.403	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CCCO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]N[5a]2)(CCCO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	121.7785	0.762	2	121.7785	0.580	2	122.6464	0.783	14	122.6464	0.783	14	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	122.7570	0.828	4	122.7224	0.405	7	122.6464	0.783	14	122.6464	0.783	14	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|H<1>}	122.6763	0.424	3	122.7224	0.405	7	122.6464	0.783	14	122.6464	0.783	14	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CCHO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]N[5a]2)(CCHO)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|H<1>}	121.7770	0.000	1	121.7770	0.000	1	122.6464	0.783	14	122.6464	0.783	14	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	121.5740	0.000	1	121.5740	0.000	1	122.6464	0.783	14	122.6464	0.783	14	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CH3)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]N[5a]2)(CH3)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	123.6920	0.000	1	123.6920	0.000	1	122.6464	0.783	14	122.6464	0.783	14	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	123.6965	0.651	2	123.6965	0.424	2	122.6464	0.783	14	122.6464	0.783	14	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	C(N[5a]N[5a]2)(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(N[5a]N[5a]2)(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	121.4315	0.508	2	121.4315	0.258	2	121.2776	0.520	22	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C){3|C<3>}	121.4105	0.168	8	121.4105	0.028	8	121.2776	0.520	22	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	121.2848	1.293	6	121.1850	1.116	10	121.2776	0.520	22	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){3|C<3>}	121.0353	0.715	4	121.1850	1.116	10	121.2776	0.520	22	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	C(N[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	C(N[5a]N[5a]2)(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	121.0550	0.204	2	121.0550	0.041	2	121.2776	0.520	22	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CCCO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]N[5a]2)(CCCO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	124.2810	1.088	2	124.2810	1.183	2	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	122.7873	0.827	4	122.7873	0.684	4	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]N[5a]2)(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	123.5040	0.439	3	123.5040	0.193	3	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CCHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]N[5a]2)(CCHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	124.4930	0.000	1	124.4930	0.000	1	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	124.7810	0.000	1	124.7810	0.000	1	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]N[5a]2)(CH3)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	122.8310	0.000	1	122.8310	0.000	1	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	121.5505	0.291	2	121.5505	0.084	2	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHH)	C(N[5a]N[5a]2)(CSeCH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(CSeCH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	122.4450	0.000	1	122.4450	0.000	1	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHH)	C(N[5a]N[5a]2)(CSeCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	C(N[5a]N[5a]2)(CSeCH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	122.2510	0.000	1	122.2510	0.000	1	123.1328	1.210	16	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6]HH)	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6]HH){1|C<2>,1|C<3>}	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	122.8440	0.000	1	122.8440	0.000	1	122.0070	1.401	2	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:1:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6]HH)	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6]HH){1|C<2>,1|C<3>}	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|C<2>,2|C<3>}	121.1700	0.000	1	121.1700	0.000	1	122.0070	1.401	2	122.0562	1.599	40	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:2:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:O-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	122.4430	1.682	4	122.4430	2.829	4	122.4430	2.829	4	122.4430	2.829	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:2:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>}	122.8510	0.000	1	122.8510	0.000	1	123.2982	1.875	4	123.2982	1.875	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:2:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	C(N[5a]N[5a]2)(CH3)(OC)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	123.4473	1.637	3	123.4473	2.680	3	123.2982	1.875	4	123.2982	1.875	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:N-3:N-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN)	C(N[5a]N[5a]2)(CHHO)(NOO)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN){1|N<3>}	C(N[5a]N[5a]2)(CHHO)(NOO)2	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	121.9470	0.000	1	121.9470	0.000	1	121.9470	0.000	1	121.9470	0.000	1	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:N-3:N-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN)	C(N[5a]N[5a]2)(CHHO)(NOO)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN){1|N<3>}	C(N[5a]N[5a]2)(CHHO)(NOO)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|C<3>}	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	123.9500	0.000	1	123.9500	0.000	1	123.5060	0.394	2	123.5060	0.394	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	C(N[5a]N[5a]2)(CH3)2(H)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|C<3>}	C(N[5a]N[5a]2)(CH3)2(H)	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	123.0620	0.000	1	123.0620	0.000	1	123.5060	0.394	2	123.5060	0.394	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|C<3>}	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	121.9850	0.000	1	121.9850	0.000	1	122.1880	0.082	2	122.1880	0.082	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	C(N[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|C<3>}	C(N[5a]N[5a]2)(CH3)2(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	122.3910	0.000	1	122.3910	0.000	1	122.1880	0.082	2	122.1880	0.082	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:2:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(N[5a]N[5a]2)(CH3)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<3>}	C(N[5a]N[5a]2)(CH3)3	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	123.7730	1.929	2	123.7730	3.721	2	123.7730	3.721	2	123.7730	3.721	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(N[5a]N[5a]2)(CH3)3	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<3>}	C(N[5a]N[5a]2)(CH3)3	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	121.0960	0.000	1	121.0960	0.000	1	122.0275	1.735	2	122.0275	1.735	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	3:4:4:4:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C(N[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<3>}	C(N[5a]N[5a]2)(CH3)3	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C){2|C<3>}	122.9590	0.000	1	122.9590	0.000	1	122.0275	1.735	2	122.0275	1.735	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	2:2:4:	4:3:4:1:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5]-4:N[5a]-3:C-4:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[5]CH)	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[5]CH){2|C<3>}	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	120.4610	2.748	2	120.4610	7.550	2	120.4610	7.550	2	120.4610	7.550	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](N[5a]C[5a,5a]C)(N[5a]N[5a,5a])	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3){3|C<3>}	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](N[5a]C[5a,5a]C)(N[5a]N[5a,5a]){2|C<3>}	121.1145	0.903	2	121.1145	0.815	2	121.1145	0.815	2	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:Cl-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(Cl)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.1035	0.197	2	120.1035	0.039	2	120.7713	1.357	3	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	122.1070	0.000	1	122.1070	0.000	1	120.7713	1.357	3	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	120.5770	0.000	1	120.5770	0.000	1	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	118.6990	0.000	1	118.6990	0.000	1	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.3660	0.000	1	120.3660	0.000	1	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|I<1>,1|N<3>}	118.8050	0.000	1	118.8050	0.000	1	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	121.1540	0.000	1	121.1540	0.000	1	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	121.0025	0.053	2	121.0025	0.003	2	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	121.9176	0.172	7	122.0033	0.063	9	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	122.3035	0.302	2	122.0033	0.063	9	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|O<1>}	122.0720	0.139	2	122.0720	0.019	2	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	121.8521	0.376	15	121.8521	0.142	15	121.5625	0.782	33	121.4472	0.838	39	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3)	C(N[5a]C[5,5a]N[5a])(H)3	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]C)	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3){1|H<1>,4|C<4>}	C(N[5a]C[5,5a]N[5a])(H)3	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]C){2|C<4>}	120.7370	0.000	1	120.7370	0.000	1	120.8610	0.031	2	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3)	C(N[5a]C[5,5a]N[5a])(H)3	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	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>}	C(N[5a]C[5,5a]N[5a])(H)3	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	120.9850	0.000	1	120.9850	0.000	1	120.8610	0.031	2	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(N[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>}	120.4325	1.219	4	120.4325	1.487	4	120.2843	1.575	7	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<2>,3|C<3>}	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<3>,3|C<3>}	118.3030	0.000	1	118.3030	0.000	1	120.2843	1.575	7	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,1|O<1>,2|N<2>}	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|N<2>,1|N<3>}	120.9785	0.118	2	120.9785	0.014	2	120.2843	1.575	7	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>,2|N<2>}	C(N[5a]C[5a,5a]N[5a])(H)3	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	117.2551	0.435	9	117.2551	0.189	9	117.2551	0.189	9	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3){2|H<1>,3|C<4>}	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){2|C<4>}	119.8710	0.000	1	119.8710	0.000	1	120.0748	0.587	5	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3){1|C<4>,4|C<3>}	C(N[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>}	118.8210	0.000	1	118.8210	0.000	1	120.0748	0.587	5	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(N[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>}	120.4530	0.000	1	120.5675	0.026	2	120.0748	0.587	5	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	C(N[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>}	120.6820	0.000	1	120.5675	0.026	2	120.0748	0.587	5	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]C)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3){1|N<2>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	120.5470	0.000	1	120.5470	0.000	1	120.0748	0.587	5	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[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>}	119.8007	0.872	3	120.0536	0.760	13	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(N[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>}	120.1710	0.332	2	120.0536	0.760	13	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(N[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>}	120.4093	0.648	7	120.0536	0.760	13	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|O<2>,3|C<3>}	C(N[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>}	118.0880	0.000	1	120.0536	0.760	13	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){4|C<3>}	120.1790	0.038	2	120.1790	0.001	2	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	119.9522	0.342	6	119.9522	0.117	6	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	118.3955	0.022	2	119.4154	1.300	8	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	118.8055	0.057	2	119.4154	1.300	8	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	118.7960	0.000	1	119.4154	1.300	8	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	120.7083	0.662	3	119.4154	1.300	8	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C){2|C<3>}	120.3710	0.000	1	119.9940	0.284	2	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C){2|C<3>}	119.6170	0.000	1	119.9940	0.284	2	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[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<3>}	119.7315	0.105	2	119.7315	0.011	2	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	C(N[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>}	120.2970	0.000	1	120.6287	0.164	4	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(N[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>}	120.7393	0.416	3	120.6287	0.164	4	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	120.7050	0.330	5	120.7050	0.109	5	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	117.6130	0.000	1	120.1856	1.178	8	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(H)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	120.5531	0.338	7	120.1856	1.178	8	120.0613	0.723	50	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5,5a]-3:N[5a]-3:	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3){2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C){1|C<4>,1|N<3>,3|H<1>}	120.7610	0.000	1	120.7610	0.000	1	120.7610	0.000	1	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	119.7915	0.779	2	119.7243	0.317	3	119.7205	0.211	4	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<4>,2|H<1>}	119.5900	0.000	1	119.7243	0.317	3	119.7205	0.211	4	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.7090	0.000	1	119.7090	0.000	1	119.7205	0.211	4	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	118.5870	0.000	1	118.5870	0.000	1	118.7894	0.343	9	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.1593	0.420	3	119.1593	0.176	3	118.7894	0.343	9	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	118.6080	0.666	5	118.6080	0.444	5	118.7894	0.343	9	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	118.1140	0.000	1	118.1140	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|I<1>,2|N<2>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>}	117.7980	0.000	1	117.7980	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	118.7430	0.000	1	118.7430	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|O<2>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|Cl<1>,1|B<3>}	117.9240	0.000	1	117.9240	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.3060	0.276	2	119.3060	0.076	2	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|B<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a]C){1|Br<1>,1|C<4>,2|O<2>}	118.8310	0.000	1	118.8310	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<2>,1|C<3>}	120.6010	0.000	1	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[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>}	118.1470	0.000	1	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[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>}	119.5610	0.334	2	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[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>}	119.3990	0.000	1	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[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>}	119.2443	0.619	3	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<2>}	C(N[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>}	119.2943	0.579	3	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[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>}	118.8955	0.568	2	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|S<2>}	119.2500	0.495	2	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	C(N[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>}	118.7550	0.445	2	119.2168	0.394	17	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	119.3850	0.000	1	119.3850	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>}	118.3540	0.066	2	117.2480	2.308	7	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<4>}	116.1840	0.947	4	117.2480	2.308	7	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|F<1>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|F<1>}	119.2920	0.000	1	117.2480	2.308	7	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<2>,1|C<4>}	119.2770	0.000	1	119.2770	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3){2|C<4>,3|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.9930	0.000	1	118.9930	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	118.3990	0.239	2	118.3017	0.057	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,3|C<3>}	118.1070	0.000	1	118.3017	0.057	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	117.9240	0.000	1	117.9240	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[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>}	119.8253	0.429	3	119.8253	0.184	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[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>}	120.4760	0.000	1	119.3252	0.540	5	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[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>}	118.4630	0.000	1	119.3252	0.540	5	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[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>}	119.4120	0.000	1	119.3252	0.540	5	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	C(N[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>}	119.1375	0.112	2	119.3252	0.540	5	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Os<7>,1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){1|Os<7>,1|C<3>,1|H<1>,1|N<3>}	120.0660	0.000	1	120.0660	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|I<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	119.8670	0.000	1	119.9640	0.019	2	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	120.0610	0.000	1	119.9640	0.019	2	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	120.8694	0.679	5	120.4065	0.537	14	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.1898	0.513	6	120.4065	0.537	14	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<2>}	118.9280	0.000	1	120.4065	0.537	14	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	120.6385	0.414	2	120.4065	0.537	14	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.4440	0.000	1	119.6133	0.022	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.6850	0.000	1	119.6133	0.022	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	119.7110	0.000	1	119.6133	0.022	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[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>}	120.2422	0.306	5	119.7819	0.866	11	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[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>}	119.7320	0.000	1	119.7819	0.866	11	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C(N[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>}	119.8840	0.128	3	119.7819	0.866	11	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|N<3>}	117.1090	0.000	1	119.7819	0.866	11	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	C(N[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>}	119.8970	0.000	1	119.7819	0.866	11	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	120.5960	0.163	2	120.5960	0.026	2	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	120.8730	0.000	1	120.8730	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|N<3>}	118.0100	0.000	1	118.5170	0.195	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){2|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	118.7705	0.063	2	118.5170	0.195	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|C<3>}	118.9510	0.000	1	118.9510	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|S<2>,2|C<4>}	C(N[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>}	119.5810	0.000	1	119.5810	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]Ni)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]Ni)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C){1|Ni<4>,1|C<3>}	117.1310	0.000	1	117.1310	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[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>}	120.4633	0.499	17	120.5609	0.307	19	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){2|C<4>}	C(N[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>}	121.3910	0.000	2	120.5609	0.307	19	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	121.5913	1.402	3	121.5913	1.965	3	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|S<2>}	119.5900	0.877	2	119.5900	0.769	2	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|S<4>}	117.5824	0.410	7	117.5824	0.168	7	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	118.8570	0.000	1	118.8570	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	121.2170	0.000	1	121.2170	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3){1|N<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|O<2>}	122.6750	0.000	1	122.6750	0.000	1	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:1:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	122.0350	0.214	2	122.0350	0.046	2	119.5405	1.783	122	119.5946	1.643	210	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.0760	0.000	1	120.0760	0.000	1	120.2803	0.035	3	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.3825	0.091	2	120.3825	0.008	2	120.2803	0.035	3	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(OC)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.7440	0.000	1	120.7440	0.000	1	120.5025	0.117	2	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(OH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.2610	0.000	1	120.2610	0.000	1	120.5025	0.117	2	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS)	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(SC[5a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.4130	0.000	1	119.2580	1.091	3	119.2580	1.091	3	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	118.6805	0.426	2	119.2580	1.091	3	119.2580	1.091	3	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS)	C(N[5a]C[5a]N[5a])(SC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS){1|C<3>}	C(N[5a]C[5a]N[5a])(SC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	121.6250	0.000	1	121.6250	0.000	1	120.4295	2.858	2	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS){1|C<3>}	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	119.2340	0.000	1	119.2340	0.000	1	120.4295	2.858	2	120.0494	0.797	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO)	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO){1|N<2>,3|N<3>}	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|C<3>,1|N<3>}	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C){2|C<3>}	119.2390	0.000	1	119.2390	0.000	1	119.4020	0.053	2	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	119.5650	0.000	1	119.5650	0.000	1	119.4020	0.053	2	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	120.3060	0.000	1	120.3060	0.000	1	120.3060	0.000	1	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(OH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.7080	0.000	1	119.7080	0.000	1	119.9716	1.202	9	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(ON)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO){1|N<2>,2|N<3>}	C(N[5a]C[5a]N[5a])(ON)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	119.2700	1.047	2	119.2700	1.095	2	119.9716	1.202	9	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO){1|C<2>}	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	118.8705	0.780	2	118.8705	0.608	2	119.9716	1.202	9	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	C(N[5a]C[5a]N[5a])(OC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.2990	0.000	1	121.2990	0.000	1	119.9716	1.202	9	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	C(N[5a]C[5a]N[5a])(OC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.8187	0.510	3	120.8187	0.260	3	119.9716	1.202	9	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS)	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS){1|H<1>}	C(N[5a]C[5a]N[5a])(SC[6a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.2160	0.000	1	121.2160	0.000	1	119.6523	1.921	3	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:S-2:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS)	C(N[5a]C[5a]N[5a])(SP)(H)2	N[5a](C[5a]S[5a]O)(N[5a]C[5a]C)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS){1|O<2>}	C(N[5a]C[5a]N[5a])(SP)(H)2	N[5a](C[5a]S[5a]O)(N[5a]C[5a]C){1|O<1>}	118.8705	0.416	2	118.8705	0.173	2	119.6523	1.921	3	119.7993	1.006	16	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:2:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:O-2:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	119.6350	0.000	1	119.6350	0.000	1	119.6350	0.000	1	119.6350	0.000	1	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<4>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){2|C<4>}	118.2390	0.000	1	118.2390	0.000	1	119.6190	2.077	9	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|C<4>}	116.8410	0.000	1	116.8410	0.000	1	119.6190	2.077	9	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<4>,1|N<3>}	118.3060	0.000	1	118.3060	0.000	1	119.6190	2.077	9	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|N<2>}	120.4634	0.191	5	120.4634	0.036	5	119.6190	2.077	9	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|O<2>}	120.8680	0.000	1	120.8680	0.000	1	119.6190	2.077	9	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.9105	1.190	2	119.9105	1.416	2	119.9549	0.340	11	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.0390	0.641	4	120.0390	0.411	4	119.9549	0.340	11	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6]O)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.8390	0.000	1	119.8390	0.000	1	119.9549	0.340	11	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.9220	0.483	4	119.9220	0.233	4	119.9549	0.340	11	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.0640	0.000	1	120.0640	0.000	1	121.0743	1.909	3	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.5100	0.000	1	120.5100	0.000	1	121.0743	1.909	3	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	122.6490	0.000	1	122.6490	0.000	1	121.0743	1.909	3	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.9875	0.919	2	119.9875	0.844	2	120.5394	2.063	22	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.6460	0.000	1	120.6646	2.620	15	120.5394	2.063	22	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.8354	1.619	13	120.6646	2.620	15	120.5394	2.063	22	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	118.4630	0.000	1	120.6646	2.620	15	120.5394	2.063	22	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.4475	0.906	2	119.4475	0.820	2	120.5394	2.063	22	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	121.0090	0.739	3	121.0090	0.545	3	120.5394	2.063	22	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NCC)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.9070	0.000	1	119.9070	0.000	1	119.9282	0.358	5	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.4330	0.656	2	119.4330	0.431	2	119.9282	0.358	5	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.4390	0.000	1	120.4390	0.000	1	119.9282	0.358	5	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.4290	0.000	1	120.4290	0.000	1	119.9282	0.358	5	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.7590	2.085	2	119.7590	4.345	2	119.5438	0.927	24	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	118.8413	0.505	8	118.8413	0.255	8	119.5438	0.927	24	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.8163	0.822	12	119.8163	0.676	12	119.5438	0.927	24	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.5035	0.989	2	120.5035	0.979	2	119.5438	0.927	24	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]N[5a])(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH)	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.0400	0.000	1	119.0400	0.000	1	119.0400	0.000	1	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	118.7773	0.084	3	118.7773	0.007	3	120.3041	1.662	8	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	121.2202	0.328	5	121.2202	0.108	5	120.3041	1.662	8	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	117.0530	0.000	1	117.0530	0.000	1	119.2402	1.922	5	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.0333	0.701	3	120.0333	0.491	3	119.2402	1.922	5	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	119.0480	0.000	1	119.0480	0.000	1	119.2402	1.922	5	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:F-1:F-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CNO)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<4>}	C(N[5a]C[5a]N[5a])(CNO)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.9880	0.000	1	119.9880	0.000	1	119.9880	0.000	1	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	118.9980	0.000	1	118.9980	0.000	1	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	118.8860	0.000	1	119.0705	0.068	2	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.2550	0.000	1	119.0705	0.068	2	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.1525	0.040	2	120.1525	0.002	2	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.1820	0.187	7	120.2827	0.067	9	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.6350	0.068	2	120.2827	0.067	9	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCI)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCI)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.2460	0.000	1	120.2460	0.000	1	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.1710	0.000	1	119.1710	0.000	1	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.0410	0.000	1	119.6667	0.177	3	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.4795	0.378	2	119.6667	0.177	3	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.2840	0.000	1	119.3854	0.712	10	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.2856	0.830	9	119.3854	0.712	10	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.1237	0.696	3	119.1237	0.484	3	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.8780	0.000	1	119.8780	0.000	1	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.3790	0.000	1	119.3790	0.000	1	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	120.7100	0.000	1	120.7100	0.000	1	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	122.7431	3.523	10	122.7431	12.412	10	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	123.1430	0.000	1	120.8637	4.238	3	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	119.7240	0.826	2	120.8637	4.238	3	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	121.8240	0.000	1	121.8240	0.000	1	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	123.3750	0.000	1	123.3750	0.000	1	120.4964	4.489	50	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.0845	0.114	2	120.0845	0.013	2	121.1633	1.564	4	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	122.2420	0.154	2	122.2420	0.024	2	121.1633	1.564	4	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.3180	0.000	1	120.3180	0.000	1	120.8260	0.186	4	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	121.1135	0.360	2	120.9953	0.107	3	120.8260	0.186	4	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	120.7590	0.000	1	120.9953	0.107	3	120.8260	0.186	4	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.7260	0.000	1	120.7260	0.000	1	120.4985	0.076	4	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.4227	0.281	3	120.4227	0.079	3	120.4985	0.076	4	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	119.5614	0.424	10	119.7075	0.376	22	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|N<3>,1|P<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|P<4>}	119.8006	0.888	8	119.7075	0.376	22	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	119.8863	0.344	4	119.7075	0.376	22	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<2>}	120.6490	0.638	2	119.1107	1.265	36	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	120.8730	0.262	2	119.1107	1.265	36	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	118.6116	0.933	13	119.1107	1.265	36	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	118.5247	0.515	6	119.1107	1.265	36	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	119.1302	1.572	4	119.1107	1.265	36	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.3630	0.000	1	119.1107	1.265	36	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.5303	0.895	7	119.1107	1.265	36	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|S<4>}	118.2460	0.000	1	119.1107	1.265	36	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	117.8390	0.569	3	117.8390	0.324	3	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	118.5043	0.410	3	119.0389	0.385	15	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	120.1520	0.000	1	119.0389	0.385	15	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.8190	0.540	3	119.0389	0.385	15	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	118.8090	0.000	1	119.0389	0.385	15	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<6>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<6>}	119.6040	0.000	1	119.0389	0.385	15	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	119.1748	0.592	6	119.0389	0.385	15	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.3040	0.000	1	120.0657	0.047	3	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.9465	0.088	2	120.0657	0.047	3	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|H<1>}	119.9291	0.295	8	120.0553	0.408	140	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.9822	0.539	61	120.0553	0.408	140	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.1696	0.738	62	120.0553	0.408	140	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	119.8317	0.736	3	120.0553	0.408	140	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|P<3>}	119.4860	1.247	2	120.0553	0.408	140	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|P<4>}	120.2067	0.523	3	120.0553	0.408	140	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|S<4>}	119.7930	0.000	1	120.0553	0.408	140	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|I<1>}	119.1610	0.000	1	118.7050	0.355	6	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	118.6138	0.617	5	118.7050	0.355	6	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|N<2>}	120.3650	0.000	1	120.4687	0.201	6	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>}	120.3370	0.499	3	120.4687	0.201	6	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	120.7180	0.567	2	120.4687	0.201	6	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	120.2562	0.973	4	120.2562	0.947	4	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<2>,1|C<4>,2|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	117.1870	0.000	1	117.8744	0.500	5	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	117.8453	0.680	3	117.8744	0.500	5	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|F<1>,2|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	118.6490	0.000	1	117.8744	0.500	5	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]Pt)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]Pt)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|Pt<4>,1|H<1>}	118.9460	0.989	2	118.9460	0.977	2	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<6>}	115.8620	0.000	1	115.8620	0.000	1	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	120.7847	0.680	3	120.7847	0.463	3	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	121.0200	0.000	1	121.0200	0.000	1	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	118.4920	0.033	2	118.4220	0.015	3	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<4>,2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	118.2820	0.000	1	118.4220	0.015	3	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.4165	0.066	2	121.4165	0.004	2	119.7193	0.921	252	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|Br<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>}	120.7380	0.000	1	120.7380	0.000	1	120.7380	0.000	1	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.5820	0.905	2	118.5820	0.819	2	118.5820	0.819	2	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	118.9920	0.000	1	118.9920	0.000	1	118.9920	0.000	1	119.8977	1.548	408	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH){2|C<3>,2|N<2>}	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){2|C<3>,2|C<4>}	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){2|C<3>,2|C<4>}	119.7790	0.000	1	119.7790	0.000	1	120.2355	0.417	2	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	120.6920	0.000	1	120.6920	0.000	1	120.2355	0.417	2	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C){2|C<3>}	119.8180	0.096	2	119.8180	0.009	2	120.5406	0.954	17	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	119.9210	0.327	4	119.9210	0.107	4	120.5406	0.954	17	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	120.2618	0.174	4	120.2618	0.030	4	120.5406	0.954	17	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C){2|C<3>}	119.0690	0.000	1	119.0690	0.000	1	120.5406	0.954	17	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCC)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	121.6258	0.737	6	121.6258	0.544	6	120.5406	0.954	17	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	118.3540	0.000	1	118.3540	0.000	1	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	120.0750	0.760	15	120.0750	0.578	15	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C){1|O<2>,3|C<3>}	120.4470	0.000	1	120.4470	0.000	1	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	119.7467	0.390	3	119.7467	0.152	3	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){2|C<3>}	120.1770	0.000	1	120.1770	0.000	1	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<3>,3|N<2>}	119.4445	0.513	2	119.9557	0.915	3	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	120.9780	0.000	1	119.9557	0.915	3	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	116.4420	0.000	1	118.3055	6.945	2	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	120.1690	0.000	1	118.3055	6.945	2	119.8393	1.019	26	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[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]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.9900	0.004	2	118.9900	0.000	2	119.9948	0.541	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH){2|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.7493	0.215	4	119.7493	0.046	4	119.9948	0.541	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.8690	0.000	1	120.8690	0.000	1	119.9948	0.541	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.4180	0.000	1	120.4180	0.000	1	119.9948	0.541	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.8420	0.303	2	120.8420	0.092	2	119.9948	0.541	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.7777	0.462	3	118.7777	0.213	3	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.1120	0.000	1	119.1120	0.000	1	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	118.4810	0.000	1	118.4810	0.000	1	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	119.5100	0.000	1	119.5100	0.000	1	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.4180	0.538	4	119.4180	0.290	4	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.1970	0.000	1	119.1970	0.000	1	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	120.5540	0.409	2	120.5540	0.167	2	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,2|C<4>,2|H<1>}	119.0610	0.000	1	119.0610	0.000	1	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.8490	0.465	2	119.8490	0.216	2	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.1390	1.506	2	120.1390	2.268	2	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.6255	0.163	2	121.6255	0.027	2	119.6851	0.983	20	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:Br-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(Br)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|Br<1>}	120.5440	0.000	1	120.5440	0.000	1	120.5440	0.000	1	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	118.6415	0.149	2	118.6415	0.022	2	118.8304	0.174	11	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(CNO)(H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	118.9652	0.471	6	118.9652	0.221	6	118.8304	0.174	11	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	118.4785	0.333	2	118.4785	0.111	2	118.8304	0.174	11	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	119.1030	0.000	1	119.1030	0.000	1	118.8304	0.174	11	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	118.6545	0.525	2	118.9240	0.313	5	118.6958	0.485	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	118.5330	0.000	1	118.9240	0.313	5	118.6958	0.485	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.3890	0.495	2	118.9240	0.313	5	118.6958	0.485	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[5a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.7745	0.562	2	118.7745	0.316	2	118.6958	0.485	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.2575	1.399	2	118.2575	1.958	2	118.6958	0.485	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.2740	0.000	1	118.2740	0.000	1	118.6958	0.485	10	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.3420	0.000	1	118.3420	0.000	1	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	117.9060	0.000	1	117.9060	0.000	1	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5]C)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.3030	0.000	1	120.3030	0.000	1	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.0740	0.000	1	121.0740	0.000	1	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.8580	0.000	1	119.8580	0.000	1	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	118.7910	0.442	4	118.7910	0.195	4	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.3660	0.000	1	118.6377	0.477	3	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	118.2735	0.398	2	118.6377	0.477	3	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	120.2827	0.389	3	120.2827	0.151	3	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	118.8765	0.146	2	118.8765	0.021	2	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]N)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.2787	0.259	3	121.2787	0.067	3	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.7157	0.433	4	120.7157	0.188	4	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5]O)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.8670	1.369	2	120.8670	1.874	2	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH){1|N<2>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	120.5400	0.000	1	120.5400	0.000	1	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCO)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	119.6650	0.420	2	119.6650	0.176	2	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	120.2170	0.000	1	120.2170	0.000	1	119.8560	1.227	30	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.1030	0.000	1	119.1030	0.000	1	120.7869	1.355	19	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.4300	0.000	1	119.4300	0.000	1	120.7869	1.355	19	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.0185	0.717	14	121.0185	0.513	14	120.7869	1.355	19	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	118.9790	0.000	1	118.9790	0.000	1	120.7869	1.355	19	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	123.5560	0.000	1	121.5900	7.730	2	120.7869	1.355	19	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	119.6240	0.000	1	121.5900	7.730	2	120.7869	1.355	19	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.2070	0.516	2	118.2070	0.266	2	119.1028	1.872	4	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.9640	0.000	1	118.9640	0.000	1	119.1028	1.872	4	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.0330	0.000	1	121.0330	0.000	1	119.1028	1.872	4	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	115.6310	0.000	2	115.6310	0.000	2	117.3067	5.078	4	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	117.5680	0.000	1	117.5680	0.000	1	117.3067	5.078	4	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.3970	0.000	1	120.3970	0.000	1	117.3067	5.078	4	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.2673	0.766	3	119.2673	0.587	3	119.2673	0.587	3	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	119.0840	0.668	3	118.9512	0.455	13	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	118.3090	0.052	2	118.9512	0.455	13	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.0619	0.716	8	118.9512	0.455	13	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	118.3197	0.509	16	118.3197	0.260	16	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	118.1080	0.269	2	118.4263	0.340	3	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|S<4>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|S<4>,3|C<3>}	119.0630	0.000	1	118.4263	0.340	3	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	117.6880	0.000	1	118.6585	1.884	2	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.6290	0.000	1	118.6585	1.884	2	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	116.7260	0.000	1	116.7260	0.000	1	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.7400	4.920	2	119.7400	24.207	2	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	119.7986	0.706	17	119.7456	0.478	19	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.2950	0.403	2	119.7456	0.478	19	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	118.0928	0.934	6	119.4977	1.351	24	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|I<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|I<1>}	119.6450	0.813	2	119.4977	1.351	24	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.0061	0.818	16	119.4977	1.351	24	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	119.9830	0.000	1	119.9830	0.000	1	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|N<2>,1|N<3>}	118.7730	0.000	1	118.7730	0.000	1	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	118.7580	0.000	1	118.7580	0.000	1	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|C<3>}	118.3730	0.110	2	118.3730	0.012	2	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.9981	0.606	13	120.9981	0.367	13	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|S<2>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	120.6580	0.000	1	120.6580	0.000	1	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>}	120.7200	0.000	1	120.7200	0.000	1	119.4001	1.567	100	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN){2|Br<1>}	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]C){2|Br<1>}	118.4097	0.998	3	118.4097	0.996	3	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|Br<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	118.9850	0.000	1	118.9850	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.1790	0.000	1	118.1790	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN){2|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|Cl<1>,1|N<3>}	117.0620	0.000	1	117.0620	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	C(N[5a]C[5a]N[5a])(NCC)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.7090	0.000	1	119.7090	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|N<3>}	119.1030	0.000	1	119.1030	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.7585	0.069	2	119.7585	0.005	2	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|N<3>}	118.9460	1.433	2	118.4960	1.634	3	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	117.5960	0.000	1	118.4960	1.634	3	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	118.1820	0.542	2	118.1820	0.293	2	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|N<3>}	117.1040	0.000	1	117.1040	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|N<2>,2|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	119.0590	0.000	1	119.0590	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN){1|N<3>}	C(N[5a]C[5a]N[5a])(NOO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	120.2810	0.000	1	120.2810	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	120.3545	1.133	2	120.3545	1.285	2	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(NCN)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<4>,1|O<1>}	118.8380	0.000	1	118.8380	0.000	1	118.8394	1.224	21	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	117.9260	0.586	3	117.9260	0.343	3	118.6882	1.262	5	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.8315	0.070	2	119.8315	0.005	2	118.6882	1.262	5	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	118.6715	0.373	2	118.6715	0.139	2	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>}	117.9603	0.331	3	117.9603	0.110	3	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	117.4840	0.598	2	117.4840	0.358	2	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	119.2770	0.000	1	119.2770	0.000	1	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	118.8050	0.000	1	119.2195	0.344	2	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.6340	0.000	1	119.2195	0.344	2	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>}	118.6705	0.897	2	118.6705	0.805	2	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|P<3>}	118.9890	0.767	2	119.2380	1.159	6	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|P<4>}	119.3625	1.294	4	119.2380	1.159	6	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.0440	0.112	2	121.0440	0.012	2	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|P<4>}	119.0180	1.300	6	119.0180	1.691	6	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH)	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	C(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	121.0560	0.000	1	121.0560	0.000	1	119.0344	1.441	27	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.1385	0.378	2	119.1385	0.143	2	118.5930	0.964	3	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[6]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	117.5020	0.000	1	117.5020	0.000	1	118.5930	0.964	3	119.5066	1.569	315	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:O-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.4562	0.164	5	119.4562	0.027	5	119.4562	0.027	5	119.4562	0.027	5	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[5]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	119.3130	0.000	1	119.3130	0.000	1	119.9840	0.900	2	119.5560	0.920	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:O-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(OC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.6550	0.000	1	120.6550	0.000	1	119.9840	0.900	2	119.5560	0.920	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	118.9187	0.706	3	118.9187	0.499	3	119.3420	1.049	4	119.5560	0.920	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:2:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:S-2:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(SC[6a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.6120	0.000	1	120.6120	0.000	1	119.3420	1.049	4	119.5560	0.920	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	121.2930	0.000	1	121.2930	0.000	1	121.2930	0.000	1	119.4810	3.097	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.6610	0.000	1	120.6610	0.000	1	120.6610	0.000	1	119.4810	3.097	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	117.7760	0.170	2	117.7760	0.029	2	117.7760	0.029	2	119.4810	3.097	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	119.4810	3.097	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H){1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.1940	0.000	1	119.1940	0.000	1	119.8885	0.965	2	119.4810	3.097	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	120.5830	0.000	1	120.5830	0.000	1	119.8885	0.965	2	119.4810	3.097	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.8610	0.403	2	118.8610	0.162	2	118.8610	0.162	2	119.4810	3.097	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H){1|C<3>}	C(N[5a]C[5a]N[5a])3(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.4993	1.428	3	118.4993	2.039	3	118.4993	2.039	3	119.4810	3.097	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	119.4860	0.000	1	119.4860	0.000	1	118.6216	0.827	5	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	118.4055	0.889	4	118.4055	0.791	4	118.6216	0.827	5	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN)	C(N[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(NOO)2(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	116.8655	0.385	2	116.8655	0.149	2	116.8655	0.149	2	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	117.8560	0.000	1	117.8560	0.000	1	120.5170	3.551	4	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	121.8515	0.103	2	121.8515	0.011	2	120.5170	3.551	4	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.5090	0.000	1	120.5090	0.000	1	120.5170	3.551	4	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	115.3797	0.223	3	115.3797	0.050	3	117.9381	4.915	10	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.0346	1.637	7	119.0346	2.680	7	117.9381	4.915	10	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:S-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CNN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.2510	2.249	2	118.2510	5.056	2	118.6505	1.805	18	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CNO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	117.8110	2.592	2	117.8110	6.720	2	118.6505	1.805	18	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CNS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.8885	0.214	2	119.8885	0.046	2	118.6505	1.805	18	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	117.9137	1.441	4	117.9137	2.075	4	118.6505	1.805	18	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])2(COO)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	118.6115	0.346	6	118.6115	0.120	6	118.6505	1.805	18	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.2420	0.017	2	120.2420	0.000	2	118.6505	1.805	18	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5,5a,6]-3:N[5a]-3:	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C){1|H<1>,4|C<4>}	118.0570	1.253	2	118.0570	1.570	2	118.0570	1.570	2	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	118.1503	3.450	3	118.1503	11.901	3	118.6166	4.085	30	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	119.1987	2.464	3	119.1987	6.073	3	118.6166	4.085	30	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H){2|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	121.4370	0.000	1	121.4370	0.000	1	118.6166	4.085	30	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	119.0487	1.887	3	119.0487	3.559	3	118.6166	4.085	30	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	117.9356	1.422	5	117.9356	2.023	5	118.6166	4.085	30	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	C(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	118.5459	1.977	15	118.5459	3.909	15	118.6166	4.085	30	118.5701	3.262	73	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:2:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C-2:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.8740	0.728	2	120.8740	0.530	2	120.8740	0.530	2	118.4222	8.327	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:2:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	115.9705	0.639	2	115.9705	0.408	2	115.9705	0.408	2	118.4222	8.327	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3)	C(N[5a]C[5a,5a]N[5a])(NOO)3	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3){1|N<2>,3|N<3>}	C(N[5a]C[5a,5a]N[5a])(NOO)3	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|C<3>,1|N<3>}	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	118.5997	11.568	27	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.3330	0.000	1	119.9110	0.356	2	119.9110	0.356	2	118.5997	11.568	27	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	119.4890	0.000	1	119.9110	0.356	2	119.9110	0.356	2	118.5997	11.568	27	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3)	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3){1|C<3>,3|N<3>}	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|N<3>}	111.7965	0.538	4	111.7965	0.289	4	118.0325	30.036	10	118.5997	11.568	27	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	121.8602	1.318	5	122.1898	2.041	6	118.0325	30.036	10	118.5997	11.568	27	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-3:N-3:N-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	C(N[5a]C[5a]N[5a])(NOO)3	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	123.8380	0.000	1	122.1898	2.041	6	118.0325	30.036	10	118.5997	11.568	27	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	C(N[5a]C[5a]N[5a])3(PCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	C(N[5a]C[5a]N[5a])3(PCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	118.9186	2.080	5	118.9186	4.327	5	118.7651	1.731	14	118.5997	11.568	27	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:3:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	C(N[5a]C[5a]N[5a])3(PC[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	C(N[5a]C[5a]N[5a])3(PC[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	118.6798	0.792	9	118.6798	0.627	9	118.7651	1.731	14	118.5997	11.568	27	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:4:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	118.0298	0.164	6	118.0298	0.027	6	118.0298	0.027	6	118.0298	0.027	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	119.4730	6.719	76	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:P-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(PRuCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(PRuCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	123.0960	0.000	1	123.0960	0.000	1	123.0960	0.000	1	119.4730	6.719	76	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	118.2035	0.333	2	118.2035	0.111	2	118.2035	0.111	2	119.4730	6.719	76	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C)	C(N[5a]C[5a]N[5a])3(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C){2|H<1>}	C(N[5a]C[5a]N[5a])3(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.4041	2.660	69	119.4041	7.074	69	119.4041	7.074	69	119.4730	6.719	76	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:S-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	C(N[5a]C[5a]N[5a])3(SO3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])3(SO3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.3430	1.172	3	120.3430	1.373	3	120.3430	1.373	3	119.4730	6.719	76	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	123.5160	0.000	1	123.5160	0.000	1	122.8200	0.969	2	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	122.1240	0.000	1	122.1240	0.000	1	122.8200	0.969	2	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>}	122.3230	0.000	1	122.3230	0.000	1	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	118.3230	0.000	1	118.3230	0.000	1	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	117.9880	0.000	1	117.9880	0.000	1	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	118.4133	0.214	3	118.4133	0.046	3	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	121.0060	0.000	1	121.0060	0.000	1	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	121.7740	0.000	1	121.7740	0.000	1	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.7910	0.000	1	119.7910	0.000	1	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	120.8660	0.000	1	120.8660	0.000	1	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.2970	0.000	1	121.2970	0.000	1	119.8735	2.636	11	120.3268	3.502	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	121.9205	1.548	2	121.9205	2.396	2	121.9205	2.396	2	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:P-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	N[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP){1|S<2>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	N[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	121.3145	0.165	2	121.3145	0.027	2	120.0087	5.129	3	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	117.3970	0.000	1	117.3970	0.000	1	120.0087	5.129	3	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|I<1>,2|C<3>}	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.9460	0.000	1	119.9460	0.000	1	120.0086	1.435	5	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|N<3>}	118.2310	0.000	1	118.2310	0.000	1	120.0086	1.435	5	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	121.1070	0.194	2	121.1070	0.038	2	120.0086	1.435	5	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH){1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	119.6520	0.000	1	119.6520	0.000	1	120.0086	1.435	5	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	116.4110	1.400	2	116.4110	1.960	2	118.6000	7.677	4	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.8130	0.000	1	119.8130	0.000	1	118.6000	7.677	4	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	121.7650	0.000	1	121.7650	0.000	1	118.6000	7.677	4	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	121.2725	1.514	2	121.2725	2.292	2	119.6021	4.340	14	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.3880	0.567	2	120.3880	0.322	2	119.6021	4.340	14	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	117.2270	5.013	2	117.2270	25.134	2	119.6021	4.340	14	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.6090	0.464	4	119.6090	0.215	4	119.6021	4.340	14	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CHHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CHHO)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.3165	1.764	2	119.3165	3.113	2	119.6021	4.340	14	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(CCCS)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.7930	2.565	2	119.7930	6.581	2	119.6021	4.340	14	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(SiCCN)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	113.3300	4.289	2	113.3300	18.398	2	112.7853	9.459	4	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:Si-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(SiClCC)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	112.2405	2.965	2	112.2405	8.791	2	112.7853	9.459	4	118.9688	9.664	34	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:4:2:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6a]-3:C-4:C-2:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[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:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC){1|C<4>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.6336	0.389	5	119.6336	0.151	5	119.6336	0.151	5	119.6336	0.151	5	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH){1|O<1>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){2|C<3>}	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	118.6850	0.000	1	118.6850	0.000	1	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	121.1270	0.000	1	121.1270	0.000	1	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.6835	0.383	2	119.6835	0.146	2	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.4739	1.113	13	120.3323	1.259	15	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.4120	0.895	2	120.3323	1.259	15	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.4937	0.647	31	119.4937	0.419	31	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.5710	0.000	1	120.5710	0.000	1	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.4895	0.091	2	119.4895	0.008	2	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.9262	0.693	4	119.9262	0.481	4	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	119.3930	0.000	1	119.3930	0.000	1	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.3050	0.020	2	120.3050	0.000	2	119.7955	0.738	60	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CFFO)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	C(N[5a]C[5a]N[5a])(CFFO)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.5970	0.000	1	119.5970	0.000	1	119.9352	0.683	5	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CFFS)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	C(N[5a]C[5a]N[5a])(CFFS)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.9610	0.000	1	120.9610	0.000	1	119.9352	0.683	5	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.2635	0.483	2	119.2635	0.233	2	119.9352	0.683	5	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CFFO)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF){1|C<3>}	C(N[5a]C[5a]N[5a])(CFFO)(F)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	120.5910	0.000	1	120.5910	0.000	1	119.9352	0.683	5	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<3>,1|N<3>,1|P<4>}	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|P<4>}	120.9995	0.414	2	120.9995	0.171	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	119.4060	0.403	2	119.4060	0.162	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	119.4125	0.490	2	119.4125	0.240	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	119.4740	0.000	1	118.9857	0.282	4	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	118.8230	0.514	3	118.9857	0.282	4	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<2>}	C(N[5a]C[5a]N[5a])(CN3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<2>}	120.0670	0.000	1	120.0670	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|S<2>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.9640	0.000	1	119.9640	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	118.5700	0.000	1	118.5700	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	116.3810	0.281	2	116.3810	0.079	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CC3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	121.5930	0.000	1	121.5930	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.0219	0.795	14	120.2668	0.830	46	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.3740	0.949	32	120.2668	0.830	46	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.7313	0.412	3	119.7313	0.170	3	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.5610	0.000	1	119.5610	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.7825	1.295	2	118.7825	1.676	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	117.7670	0.000	1	117.7670	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.7200	0.000	1	120.4282	0.265	4	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.3310	0.584	3	120.4282	0.265	4	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.8486	0.790	5	120.1010	0.676	11	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.3113	0.859	6	120.1010	0.676	11	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.8390	0.313	2	119.8390	0.098	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	119.0185	0.513	2	119.0185	0.263	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|I<1>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|I<1>}	119.5090	0.000	1	118.7815	1.059	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|I<1>,1|N<3>}	118.0540	0.000	1	118.7815	1.059	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	119.9245	1.000	4	119.7332	0.933	5	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|I<1>}	118.9680	0.000	1	119.7332	0.933	5	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]Re)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]Re)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|Re<6>,1|C<3>}	116.0890	0.000	1	116.0890	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	119.5730	0.000	1	119.5730	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|S<2>}	118.8800	4.927	2	118.8800	24.277	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	120.6853	0.657	3	120.6853	0.432	3	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	121.1785	1.117	2	121.1785	1.247	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	121.5640	0.000	1	121.5640	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	120.9215	0.112	2	120.9215	0.013	2	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	120.1777	0.934	7	120.0849	0.817	8	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.4350	0.000	1	120.0849	0.817	8	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.4103	0.299	6	121.4103	0.089	6	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.5900	0.616	4	121.5900	0.380	4	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.1830	0.000	1	121.1830	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	122.0910	0.000	1	122.0910	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	119.8340	0.000	1	119.8340	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.7810	0.000	1	121.7810	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.3210	0.000	1	121.3210	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.3710	0.000	1	121.3710	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	122.2480	0.000	1	122.2480	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	118.4110	0.000	1	118.4110	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	121.4469	0.662	7	121.1097	0.731	15	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	120.8148	0.935	8	121.1097	0.731	15	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH){2|C<4>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	117.4520	0.000	1	117.4520	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]Pd)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]Pd)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|Pd<4>}	120.5920	0.000	1	120.5920	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]Pt)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]Pt)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|Pt<4>}	120.0150	0.000	1	120.0150	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	120.8230	0.000	1	120.8230	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<1>}	120.4000	0.000	1	120.4000	0.000	1	120.2129	1.588	153	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.5275	0.578	2	119.5302	1.781	4	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.5330	0.994	2	119.5302	1.781	4	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH){1|C<4>,1|O<2>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	117.2970	0.544	2	117.2970	0.296	2	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH){3|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	118.2360	0.000	1	118.2360	0.000	1	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.4923	0.075	3	119.7870	0.446	6	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.0817	0.921	3	119.7870	0.446	6	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.0360	1.500	2	120.0360	2.251	2	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.4230	0.000	1	120.4230	0.000	1	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	118.8950	0.000	1	118.8950	0.000	1	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.7060	0.000	1	120.7060	0.000	1	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	120.7980	0.000	1	120.7980	0.000	1	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	122.9020	0.000	1	122.9020	0.000	1	119.6735	1.991	20	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH){1|C<3>,1|N<2>,1|O<2>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	119.1940	0.000	1	119.1940	0.000	1	119.7315	0.272	12	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.6130	0.147	2	119.6130	0.022	2	119.7315	0.272	12	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.7665	0.393	4	119.8176	0.324	9	119.7315	0.272	12	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.8584	0.726	5	119.8176	0.324	9	119.7315	0.272	12	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:P-4:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]Pd)(N[5a]N[5a])(CHHP)	C(N[5a]C[5a]N[5a])(PPdCC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]Pd)(N[5a]N[5a])(CHHP){1|C<4>}	C(N[5a]C[5a]N[5a])(PPdCC)(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|Pd<4>,1|C<4>}	126.4460	0.000	1	126.4460	0.000	1	126.4460	0.000	1	120.0665	1.519	252	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH)	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH){2|C<3>,2|N<2>}	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C){1|H<1>,3|C<3>}	119.5330	0.000	1	119.5330	0.000	1	119.1905	0.235	2	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C){1|H<1>,3|C<3>}	118.8480	0.000	1	118.8480	0.000	1	119.1905	0.235	2	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<4>,1|N<3>}	119.9770	0.000	1	119.9770	0.000	1	120.3827	0.430	3	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<4>,1|N<2>}	120.0320	0.000	1	120.5855	0.613	2	120.3827	0.430	3	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	121.1390	0.000	1	120.5855	0.613	2	120.3827	0.430	3	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	119.5317	0.644	3	119.5317	0.415	3	119.2675	0.556	4	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	118.4750	0.000	1	118.4750	0.000	1	119.2675	0.556	4	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	120.4800	0.000	1	120.4800	0.000	1	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){2|C<3>,2|N<2>}	119.2140	0.000	1	119.2140	0.000	1	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	120.7530	0.000	1	120.7530	0.000	1	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	119.5760	0.000	1	119.5760	0.000	1	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	120.5370	0.000	1	120.5370	0.000	1	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	119.2240	0.000	1	119.2240	0.000	1	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	118.9670	0.164	2	118.9670	0.027	2	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	120.9407	0.641	22	120.9407	0.411	22	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	120.3160	0.000	1	120.3160	0.000	1	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	121.2774	0.995	5	121.2774	0.990	5	120.6977	0.784	36	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){2|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:F-1:F-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF)	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF){1|Br<1>,1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]FF)(F)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>}	119.2330	1.317	2	119.2330	1.734	2	119.2330	1.734	2	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH){2|C<4>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<4>,2|H<1>}	119.0540	0.000	1	119.0540	0.000	1	119.0540	0.000	1	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	119.5050	0.000	1	119.5050	0.000	1	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	118.1550	0.000	1	118.1550	0.000	1	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	118.8820	0.000	1	118.8820	0.000	1	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	119.3420	0.000	1	119.3420	0.000	1	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	118.4350	0.000	1	119.0138	0.189	4	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.2067	0.246	3	119.0138	0.189	4	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	118.7763	0.402	4	118.7763	0.162	4	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.3360	0.000	1	119.3360	0.000	1	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.2680	0.000	1	118.2680	0.000	1	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.8470	0.000	1	118.8470	0.000	1	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.1600	0.000	1	119.1600	0.000	1	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	120.4340	0.104	3	120.4340	0.011	3	119.1556	0.488	19	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	119.1590	0.000	1	119.1590	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	117.7750	0.000	1	117.7750	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.6530	0.000	1	118.6530	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	118.9925	0.296	2	118.9925	0.088	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	119.3575	0.501	2	119.3575	0.251	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	118.4000	0.000	1	118.5215	0.030	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<4>}	118.6430	0.000	1	118.5215	0.030	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	C(N[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>}	118.7510	0.240	2	118.7510	0.058	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.9516	2.446	5	118.9516	5.981	5	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.1440	0.000	1	119.1440	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.6370	0.403	2	118.6370	0.162	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHP)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHP)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	117.6570	0.000	1	117.6570	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHS)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.1690	0.134	2	119.1690	0.018	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.0390	0.216	2	120.0390	0.047	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a]N[5a])(CCCH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	118.9870	0.000	1	118.9870	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	116.4690	0.000	1	116.4690	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	117.7560	0.000	1	117.7560	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	119.2847	1.197	3	119.1090	1.078	4	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.5820	0.000	1	119.1090	1.078	4	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	119.9200	0.000	1	119.6990	0.098	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.4780	0.000	1	119.6990	0.098	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	121.2240	0.000	1	121.2240	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	119.0310	0.000	1	119.0310	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CFNN)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	119.4035	0.582	2	119.4035	0.339	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	119.7980	0.000	1	119.7980	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.5270	1.083	3	120.5270	1.174	3	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	119.1770	0.000	1	119.7685	0.700	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	120.3600	0.000	1	119.7685	0.700	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CHHS)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	128.4490	0.660	2	128.4490	0.436	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	119.7340	0.000	1	119.7800	0.004	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.8260	0.000	1	119.7800	0.004	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.1885	0.725	2	120.1885	0.525	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(COPP)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	121.5480	0.000	1	121.5480	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	120.8260	0.000	1	120.8260	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]I)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|I<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]I)(N[5a]C[5a]C){2|N<3>}	118.5385	2.024	2	118.5385	4.098	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|Cl<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|Cl<1>,1|N<3>}	116.3480	0.550	2	117.8470	2.778	6	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|N<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|N<2>,1|N<3>}	118.1480	0.000	1	117.8470	2.778	6	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|N<2>,1|N<3>}	120.8270	0.000	1	117.8470	2.778	6	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	117.7055	0.289	2	117.8470	2.778	6	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|N<2>,2|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	119.4215	0.852	2	119.4215	0.726	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>,1|S<2>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>}	117.9450	0.000	1	117.9450	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	118.7340	0.000	1	118.7340	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	120.0550	0.000	1	120.0550	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	121.6020	0.000	1	121.6020	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|O<2>}	C(N[5a]C[5a]N[5a])(CF3)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|O<2>}	120.8875	0.639	2	120.8875	0.408	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCCO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCCO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.8050	0.000	1	120.8050	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.5934	0.822	18	120.5934	0.675	18	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHS)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.7090	0.345	2	121.7090	0.119	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.9805	0.081	2	120.9805	0.007	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	119.8110	0.000	1	119.8110	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.9460	0.000	1	121.9460	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.3226	0.727	36	121.3226	0.529	36	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.7364	0.487	5	120.7364	0.238	5	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|H<1>}	121.1565	1.180	2	121.1565	1.393	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.6830	0.000	1	120.6830	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	119.8890	0.000	1	119.8890	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|P<4>}	119.9940	1.006	2	119.9940	1.011	2	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	119.8230	0.000	1	119.8230	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|S<2>}	120.4620	0.000	1	120.4620	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH){1|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(H)2	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	121.0730	0.000	1	121.0730	0.000	1	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH){1|S<2>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C){1|O<1>}	117.3880	0.588	4	117.3880	0.345	4	120.1995	3.073	146	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a,5a]-3:N[5a]-3:	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH){1|N<2>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(H)2	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C){1|N<2>,3|C<3>}	114.7610	0.000	1	114.7610	0.000	1	114.7610	0.000	1	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	119.0770	0.000	1	119.0770	0.000	1	123.8150	34.414	4	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.5600	0.000	1	121.5600	0.000	1	123.8150	34.414	4	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	127.3115	7.159	2	127.3115	51.258	2	123.8150	34.414	4	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH){1|S<2>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	120.3110	0.000	1	120.3110	0.000	1	120.3110	0.000	1	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C(N[5a]C[5a]N[5a])(NPdCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NPdCC)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.3860	0.000	1	119.3860	0.000	1	119.3860	0.000	1	120.1680	3.284	222	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:O-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	119.0630	0.000	1	119.0630	0.000	1	120.2005	2.588	2	120.2005	2.588	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:2:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:O-2:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	121.3380	0.000	1	121.3380	0.000	1	120.2005	2.588	2	120.2005	2.588	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.9138	1.533	6	119.9138	2.350	6	120.0119	1.569	11	120.3065	1.829	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	120.7030	0.000	1	120.7030	0.000	1	120.0119	1.569	11	120.3065	1.829	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	120.5610	0.000	1	120.5610	0.000	1	120.0119	1.569	11	120.3065	1.829	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	118.5810	0.000	1	118.5810	0.000	1	120.0119	1.569	11	120.3065	1.829	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.7880	0.000	1	119.7880	0.000	1	120.0119	1.569	11	120.3065	1.829	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.0150	0.000	1	121.0150	0.000	1	120.0119	1.569	11	120.3065	1.829	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C[6a]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.9265	0.237	2	121.9265	0.056	2	121.9265	0.056	2	120.3065	1.829	13	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.9450	0.000	1	119.9450	0.000	1	119.7310	0.378	4	119.7310	0.378	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	118.8180	0.000	1	118.8180	0.000	1	119.7310	0.378	4	119.7310	0.378	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.0805	0.105	2	120.0805	0.011	2	119.7310	0.378	4	119.7310	0.378	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	121.3770	0.000	1	121.3770	0.000	1	121.5347	0.066	3	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	121.6135	0.309	2	121.6135	0.095	2	121.5347	0.066	3	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	118.5280	0.000	1	118.5280	0.000	1	118.5280	0.000	1	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.6420	0.000	1	119.6420	0.000	1	121.1083	1.615	3	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	121.7930	0.000	1	121.7930	0.000	1	121.1083	1.615	3	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	121.8900	0.000	1	121.8900	0.000	1	121.1083	1.615	3	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.2120	0.000	1	119.2120	0.000	1	119.2035	0.319	4	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.3640	0.000	1	119.3640	0.000	1	119.2035	0.319	4	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|P<3>}	119.7960	0.000	1	119.7960	0.000	1	119.2035	0.319	4	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C[5]-4:C-4:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	118.4420	0.000	1	118.4420	0.000	1	119.2035	0.319	4	120.2974	1.880	11	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH)	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){2|C<4>}	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	119.5743	1.810	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.7100	1.035	2	118.7100	1.072	2	119.5281	1.963	11	119.5743	1.810	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	118.9830	0.000	1	118.9830	0.000	1	119.5281	1.963	11	119.5743	1.810	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	118.5390	0.980	2	118.5390	0.960	2	119.5281	1.963	11	119.5743	1.810	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>}	120.2890	0.000	1	120.2890	0.000	1	119.5281	1.963	11	119.5743	1.810	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	119.2200	0.000	1	119.2200	0.000	1	119.5281	1.963	11	119.5743	1.810	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	121.7380	1.720	2	121.7380	2.957	2	119.5281	1.963	11	119.5743	1.810	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH)	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH){1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)2(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	119.1715	0.595	2	119.1715	0.354	2	119.5281	1.963	11	119.5743	1.810	12	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>}	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	121.2000	0.000	1	121.2000	0.000	1	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>}	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	120.6350	0.000	1	120.6350	0.000	1	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	116.8317	1.227	3	116.8317	1.505	3	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.6400	0.000	1	119.6400	0.000	1	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.3420	0.000	1	119.3420	0.000	1	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	119.5460	0.325	2	119.5460	0.106	2	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	115.1240	1.056	2	116.7817	8.802	3	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	120.0970	0.000	1	116.7817	8.802	3	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	121.1490	0.000	1	121.1490	0.000	1	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	119.9890	0.000	1	119.9890	0.000	1	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]Ni)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]Ni)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|Ni<4>}	117.2290	0.966	2	117.2290	0.933	2	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]Pd)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]Pd)(N[5a]N[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|Pd<4>}	117.0880	0.000	1	117.0880	0.000	1	118.4372	4.331	17	118.4372	4.331	17	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3)	C(N[5a]C[5a,6]N[5a])(CH3)3	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3){1|C<4>,2|C<3>}	C(N[5a]C[5a,6]N[5a])(CH3)3	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	120.3870	0.000	1	120.3870	0.000	1	120.3870	0.000	1	118.2073	1.606	15	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C(N[5a]C[5a,6a]N[5a])(CH3)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(N[5a]C[5a,6a]N[5a])(CH3)3	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	119.2900	0.000	1	119.2900	0.000	1	119.2900	0.000	1	118.2073	1.606	15	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	117.7237	0.673	6	117.7237	0.453	6	117.9563	1.311	13	118.2073	1.606	15	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	117.9355	0.411	4	117.9355	0.169	4	117.9563	1.311	13	118.2073	1.606	15	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>}	116.9250	0.000	1	117.0420	0.027	2	117.9563	1.311	13	118.2073	1.606	15	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){2|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	117.1590	0.000	1	117.0420	0.027	2	117.9563	1.311	13	118.2073	1.606	15	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:4:4:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3)	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3){2|C<3>}	C(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|O<2>,3|C<3>}	121.2640	0.000	1	121.2640	0.000	1	117.9563	1.311	13	118.2073	1.606	15	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.7010	0.000	1	119.7010	0.000	1	119.6780	0.001	2	119.8025	0.519	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	119.6550	0.000	1	119.6550	0.000	1	119.6780	0.001	2	119.8025	0.519	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	4:3:1:1:	3:2:	C[5a]-3:N[5a]-2:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	119.9270	1.222	2	119.9270	1.493	2	119.9270	1.493	2	119.8025	0.519	4	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	4:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	120.0580	0.000	1	120.0580	0.000	1	121.2110	2.659	2	121.2110	2.659	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	4:3:1:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	122.3640	0.000	1	122.3640	0.000	1	121.2110	2.659	2	121.2110	2.659	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:4:2:	3:3:3:1:	3:2:	C[5a,6a]-3:C-4:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]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](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	120.6940	0.519	2	120.6940	0.269	2	120.6940	0.269	2	120.6940	0.269	2	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a]-3:C-4:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	119.6715	0.128	2	119.6715	0.016	2	119.6715	0.016	2	119.3357	0.528	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a]-3:C-4:N[5a]-2:	N[5a]-3:N[5]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.4205	0.121	2	118.4205	0.015	2	118.4205	0.015	2	119.3357	0.528	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:4:2:	3:3:3:1:	3:3:	C[5a]-3:C-4:N[5a]-2:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	119.9150	0.194	2	119.9150	0.038	2	119.9150	0.038	2	119.3357	0.528	6	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:4:2:	3:3:3:3:	3:3:	C[5a]-3:C-4:N[5a]-2:	N[5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	117.8540	0.000	1	117.8540	0.000	1	117.8540	0.000	1	117.8540	0.000	1	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:4:2:	3:3:3:4:	3:2:	C[5a,6a]-3:C-4:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.4420	1.506	4	120.4420	2.268	4	119.4195	2.677	26	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.3577	2.125	4	119.3577	4.518	4	119.4195	2.677	26	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	118.9330	1.932	4	118.9330	3.731	4	119.4195	2.677	26	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.2840	1.518	14	119.2840	2.306	14	119.4195	2.677	26	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.9855	0.404	2	119.9855	0.163	2	119.9855	0.163	2	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	119.1050	2.611	6	119.1050	6.815	6	119.9900	2.448	36	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	120.4505	1.144	4	120.4505	1.310	4	119.9900	2.448	36	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.7275	1.630	2	119.7275	2.657	2	119.9900	2.448	36	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.1563	1.297	24	120.1563	1.681	24	119.9900	2.448	36	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	120.4155	0.562	4	120.4155	0.316	4	120.4155	0.316	4	119.7461	2.535	69	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:3:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.2728	1.192	12	119.2728	1.420	12	119.8964	9.818	21	119.8964	9.818	21	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:3:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])3(C[6a]N[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	120.7279	4.608	9	120.7279	21.230	9	119.8964	9.818	21	119.8964	9.818	21	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[5a]-3:N[5a]-3:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.1365	0.878	2	118.1365	0.770	2	118.9713	0.895	6	118.3757	1.526	18	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[5a]-3:N[5a]-3:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	119.5305	0.009	2	119.5305	0.000	2	118.9713	0.895	6	118.3757	1.526	18	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[5a]-3:N[5a]-3:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	119.2470	1.239	2	119.2470	1.535	2	118.9713	0.895	6	118.3757	1.526	18	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	118.4480	1.768	2	118.4480	3.125	2	118.7037	1.620	4	118.3757	1.526	18	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	118.9595	1.214	2	118.9595	1.474	2	118.7037	1.620	4	118.3757	1.526	18	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5a]-3:N[5a]-3:	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	116.4765	1.210	2	116.4765	1.464	2	117.7650	1.581	8	118.3757	1.526	18	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5a]-3:N[5a]-3:	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	117.9735	0.094	2	117.9735	0.009	2	117.7650	1.581	8	118.3757	1.526	18	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:3:3:4:	3:3:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	C[5a]-3:N[5a]-3:	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	118.3050	1.294	4	118.3050	1.674	4	117.7650	1.581	8	118.3757	1.526	18	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP2_SP2_SP3	N[5a]	C	N[5a]	4:3:2:	3:4:3:3:	3:2:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a])	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	120.8860	0.000	1	120.8860	0.000	1	120.8860	0.000	1	120.8860	0.000	1	120.0240	3.216	2175	120.0240	3.216	2175
813	490	519	0:SP3_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:3:3:1:	3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	113.3100	0.670	2	113.3100	0.449	2	113.3100	0.449	2	113.3100	0.449	2	116.0133	22.149	3	116.0133	22.149	3
813	490	519	0:SP3_SP2_SP3	N[5a]	C	N[5a]	3:2:4:	3:4:1:1:	3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6a]Pd)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	N[5a](C[5a]C[5a,6a]Pd)(N[5a]C[5a,6a]C){2|C<3>}	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	116.0133	22.149	3	116.0133	22.149	3