643	217	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	120.5530	0.000	1	120.3430	0.088	2	120.3430	0.088	2	120.3430	0.088	2	120.3430	0.088	2	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|O<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	120.1330	0.000	1	120.3430	0.088	2	120.3430	0.088	2	120.3430	0.088	2	120.3430	0.088	2	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[5a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.9190	0.000	1	117.9270	0.000	2	117.9270	0.000	2	117.9270	0.000	2	117.5371	3.043	10	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[5a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,4|C<3>}	117.9350	0.000	1	117.9270	0.000	2	117.9270	0.000	2	117.9270	0.000	2	117.5371	3.043	10	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H)	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	116.1940	0.000	1	116.1940	0.000	1	116.1940	0.000	1	116.1940	0.000	1	117.5371	3.043	10	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	117.5371	3.043	10	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:2:3:	3:3:4:	3:3:3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|O<1>,5|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2){1|C<4>,4|C<3>}	117.6965	0.050	2	117.6965	0.003	2	117.6965	0.003	2	117.6965	0.003	2	117.5371	3.043	10	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	114.9365	0.528	2	114.9365	0.279	2	114.9365	0.279	2	114.9365	0.279	2	117.5371	3.043	10	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	119.9410	0.000	1	119.9410	0.000	1	119.9410	0.000	1	119.1430	1.274	2	117.5371	3.043	10	118.0048	3.691	12
643	217	727	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	119.1430	1.274	2	117.5371	3.043	10	118.0048	3.691	12
643	217	727	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H)	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C){1|C<4>,5|C<3>}	114.0510	0.000	1	114.0510	0.000	1	114.0510	0.000	1	114.0510	0.000	1	115.5372	2.329	6	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[5a,6]	3:3:2:	3:3:4:	3:3:3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	115.5372	2.329	6	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	114.1750	0.000	1	114.1750	0.000	1	114.1940	0.001	2	115.5922	2.607	4	115.5372	2.329	6	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	114.2130	0.000	1	114.2130	0.000	1	114.1940	0.001	2	115.5922	2.607	4	115.5372	2.329	6	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.9905	0.009	2	116.9905	0.000	2	116.9905	0.000	2	115.5922	2.607	4	115.5372	2.329	6	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	116.0515	0.104	2	116.0515	0.011	2	116.0515	0.011	2	116.0515	0.011	2	116.0515	0.011	2	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[5a,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C)	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	113.5610	0.000	1	113.5610	0.000	1	113.5610	0.000	1	113.5610	0.000	1	113.5610	0.000	1	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	114.0560	0.000	1	114.0560	0.000	1	114.0560	0.000	1	114.0560	0.000	1	115.5855	4.679	2	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]N[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]N[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	117.1150	0.000	1	117.1150	0.000	1	117.1150	0.000	1	117.1150	0.000	1	115.5855	4.679	2	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])2{1|O<2>,3|C<3>,6|H<1>}	117.9300	0.000	1	117.9300	0.000	1	117.9300	0.000	1	117.9300	0.000	1	117.9300	0.000	1	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5a,6a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a,6a]C[6a]N[6a]){1|H<1>,6|C<3>}	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O){6|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6]){1|S<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O){6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a,6a]O)(S[5a]C[5a]){2|H<1>,3|C<3>}	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:2:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	111.6010	0.000	1	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	108.4790	0.000	1	108.4790	0.000	1	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	109.4512	0.665	5	109.5306	0.222	11	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	109.5056	0.190	5	109.5306	0.222	11	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<9>,1|C<3>,2|H<1>}	110.0530	0.000	1	109.5306	0.222	11	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	109.9375	0.019	2	109.9375	0.000	2	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	109.4198	0.776	5	109.4198	0.602	5	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,3|H<1>}	110.4306	0.358	5	110.0612	0.576	14	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	108.9000	0.000	1	110.0612	0.576	14	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,2|H<1>}	109.7954	0.680	5	110.0612	0.576	14	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	110.2757	1.141	3	110.0612	0.576	14	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	110.0860	0.000	1	110.2981	0.410	20	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	109.9017	0.131	6	110.2981	0.410	20	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	110.7980	0.540	7	110.2981	0.410	20	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	109.9090	0.686	3	110.2981	0.410	20	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	110.1610	0.000	1	110.2981	0.410	20	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,3|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	110.4965	1.315	2	110.2981	0.410	20	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Os<9>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os){1|C<3>,1|C<4>,2|H<1>}	109.9720	0.000	1	109.9720	0.000	1	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	110.5869	0.925	14	110.6117	0.804	15	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|Pt<4>,1|C<3>,2|H<1>}	110.9600	0.000	1	110.6117	0.804	15	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Re<6>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re){1|C<3>,1|C<4>,2|H<1>}	110.6085	0.107	2	110.6085	0.011	2	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Rh<5>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh){1|C<3>,1|C<4>,2|H<1>}	112.2500	0.000	1	112.2500	0.000	1	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	110.5070	0.000	1	111.2203	0.522	3	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	111.9520	0.000	1	111.2203	0.522	3	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<9>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	111.2020	0.000	1	111.2203	0.522	3	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Zn<4>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	111.3790	0.000	1	111.3790	0.000	1	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	110.0430	0.882	2	110.0430	0.779	2	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	111.4417	0.585	3	111.4417	0.342	3	110.2367	0.768	81	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H){1|C<3>,3|H<1>}	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	110.2371	0.798	84	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	3:4:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O){1|H<1>,4|C<3>}	114.4320	0.516	2	114.4320	0.266	2	114.4320	0.266	2	114.4320	0.266	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:1:	4:3:3:	C[5,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.1905	0.029	2	118.1905	0.001	2	118.1905	0.001	2	118.1905	0.001	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	111.8150	0.000	1	111.8150	0.000	1	112.2090	0.135	3	112.2090	0.135	3	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	112.5410	0.000	1	112.5410	0.000	1	112.2090	0.135	3	112.2090	0.135	3	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	112.2710	0.000	1	112.2710	0.000	1	112.2090	0.135	3	112.2090	0.135	3	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O){1|C<2>,4|C<3>}	115.1920	0.000	1	115.1920	0.000	1	115.1920	0.000	1	115.1920	0.000	1	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	113.9845	0.062	2	113.9845	0.004	2	112.3957	0.831	16	112.3957	0.831	16	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]){1|C<3>,2|C<4>}	112.1688	0.718	14	112.1688	0.515	14	112.3957	0.831	16	112.3957	0.831	16	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	119.7650	0.000	1	119.7650	0.000	1	119.7650	0.000	1	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){2|C<3>,2|C<4>}	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	111.5520	0.000	2	111.5520	0.000	2	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	111.0325	1.433	2	111.0989	0.689	9	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	111.2497	0.187	3	111.0989	0.689	9	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	110.3800	1.260	2	111.0989	0.689	9	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|C<4>}	111.8410	0.000	1	111.0989	0.689	9	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Rh<6>,1|C<3>,3|C<4>}	111.4750	0.000	1	111.0989	0.689	9	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	111.4967	0.485	7	111.4967	0.236	7	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ru<6>,1|C<3>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|H<1>,3|C<4>}	112.4870	0.000	1	112.4870	0.000	1	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ni<6>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]N[5]Ni){1|Ni<6>,1|C<3>,2|C<4>}	112.8320	0.218	3	112.8320	0.047	3	111.5661	0.699	22	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O){1|H<1>,3|C<3>,3|C<4>}	111.7880	0.000	1	111.7880	0.000	1	111.7880	0.000	1	111.9848	3.406	25	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	114.4950	0.000	1	114.4950	0.000	1	113.6510	1.425	2	113.6510	1.425	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC){1|H<1>,2|C<3>,2|C<4>}	112.8070	0.000	1	112.8070	0.000	1	113.6510	1.425	2	113.6510	1.425	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	114.7250	0.000	1	114.7250	0.000	1	114.7250	0.000	1	114.0905	0.805	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O){2|C<4>,3|C<3>}	113.4560	0.000	1	113.4560	0.000	1	113.4560	0.000	1	114.0905	0.805	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5]){1|C<4>,1|S<1>,2|C<3>}	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	112.5515	0.168	2	112.5515	0.028	2	112.5515	0.028	2	112.5515	0.028	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<2>,1|C<4>,1|O<1>,2|H<1>,7|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(Si[5]C[5,6a]CC){1|C<4>,6|C<3>}	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	119.4270	0.150	2	119.4270	0.022	2	119.4270	0.022	2	119.4270	0.022	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	118.1560	0.296	2	118.1560	0.087	2	118.1560	0.087	2	118.1560	0.087	2	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	117.0180	0.000	1	117.0180	0.000	1	117.0180	0.000	1	117.0180	0.000	1	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5,6a]	3:3:4:	3:3:4:	3:3:4:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	111.5823	5.870	149	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:2:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>}	112.6890	0.000	1	112.6890	0.000	1	112.6890	0.000	1	112.6890	0.000	1	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:2:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|N<2>,3|H<1>}	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	112.4485	2.579	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:2:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	112.4485	2.579	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:2:3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	120.4315	0.056	2	120.4315	0.003	2	120.4315	0.003	2	120.4315	0.003	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.6750	0.000	1	119.6907	0.002	3	119.6907	0.002	3	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	119.6985	0.056	2	119.6907	0.002	3	119.6907	0.002	3	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	110.0472	0.964	10	110.1129	0.883	11	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	110.7700	0.000	1	110.1129	0.883	11	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	111.9980	0.000	1	111.9980	0.000	1	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	112.1740	0.000	1	111.4827	0.425	34	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.7000	0.000	1	111.4827	0.425	34	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	111.4717	0.652	31	111.4827	0.425	34	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	111.9150	0.000	1	111.4827	0.425	34	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	111.5730	0.000	1	112.5217	0.850	3	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]S[5a]){1|C<3>,1|C<4>,2|H<1>}	112.9960	0.591	2	112.5217	0.850	3	111.2493	0.959	49	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	112.7897	0.277	4	112.7897	0.077	4	113.0496	0.395	5	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	114.0890	0.000	1	114.0890	0.000	1	113.0496	0.395	5	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.8393	4.516	58	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	115.0877	0.268	3	115.0877	0.072	3	115.0877	0.072	3	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){5|C<3>}	C[5a,6a](C[5a,6a]N[6a,6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<1>,1|C<3>,1|C<4>,1|H<1>}	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	113.6683	0.569	4	113.6683	0.324	4	113.6683	0.324	4	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){2|C<3>,2|H<1>}	113.6330	0.552	2	113.6330	0.304	2	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){1|C<3>,1|S<4>,2|H<1>}	113.2090	0.000	1	113.2090	0.000	1	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	112.6120	0.000	1	112.6120	0.000	1	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	111.7970	0.042	2	111.7970	0.002	2	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	113.2975	0.100	2	113.2975	0.010	2	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	112.0760	0.000	1	112.0760	0.000	1	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	112.8820	0.000	1	112.8820	0.000	1	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|Br<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	111.2770	0.000	1	111.2770	0.000	1	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	113.6185	0.361	2	113.6185	0.131	2	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	113.7330	0.000	1	113.7330	0.000	1	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	111.7590	0.201	2	111.7590	0.040	2	112.7499	0.785	16	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	111.4070	0.000	1	111.4070	0.000	1	110.6633	0.464	19	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	109.6515	0.367	2	109.6515	0.135	2	110.6633	0.464	19	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	110.8397	0.505	13	110.8397	0.255	13	110.6633	0.464	19	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	111.4240	0.000	1	111.4240	0.000	1	110.6633	0.464	19	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<4>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	109.7760	0.006	2	109.7760	0.000	2	110.6633	0.464	19	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,3|H<1>}	114.0160	0.028	2	114.0160	0.001	2	113.8870	0.050	3	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,3|H<1>}	113.6290	0.000	1	113.6290	0.000	1	113.8870	0.050	3	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S){2|H<1>,4|C<3>}	112.5870	0.000	1	112.5870	0.000	1	112.5870	0.000	1	112.1620	2.570	49	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:2:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	112.9020	0.208	2	113.0160	0.035	4	113.0160	0.035	4	113.0160	0.035	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:2:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	113.0650	0.000	1	113.0160	0.035	4	113.0160	0.035	4	113.0160	0.035	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:2:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	113.1950	0.000	1	113.0160	0.035	4	113.0160	0.035	4	113.0160	0.035	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<2>,4|C<3>}	111.8245	0.701	2	111.8245	0.491	2	111.7935	0.624	4	111.7935	0.624	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]O[5a]){1|C<3>,1|N<2>,2|C<4>}	110.9330	0.000	1	110.9330	0.000	1	111.7935	0.624	4	111.7935	0.624	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|S<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	112.5920	0.000	1	112.5920	0.000	1	111.7935	0.624	4	111.7935	0.624	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	120.4700	0.000	1	120.4700	0.000	1	120.4700	0.000	1	116.6725	28.842	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:2:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	116.6725	28.842	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	110.1542	0.694	4	110.1542	0.482	4	110.0591	0.220	8	110.9725	1.253	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	109.8900	0.047	2	109.8900	0.002	2	110.0591	0.220	8	110.9725	1.253	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	110.0380	0.008	2	110.0380	0.000	2	110.0591	0.220	8	110.9725	1.253	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	112.3890	0.123	2	112.3890	0.015	2	112.0164	0.284	7	110.9725	1.253	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]N[6a])(S[5a]C[5a,5a])(C[6a]N[6a]O){1|S<2>,3|C<3>}	110.9490	0.000	1	110.9490	0.000	1	112.0164	0.284	7	110.9725	1.253	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	111.6730	0.000	1	111.6730	0.000	1	112.0164	0.284	7	110.9725	1.253	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	112.2383	0.047	3	112.2383	0.002	3	112.0164	0.284	7	110.9725	1.253	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	111.3170	0.000	1	111.3170	0.000	1	110.8787	0.262	3	110.6385	0.405	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){2|C<3>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	110.3160	0.000	1	110.3160	0.000	1	110.8787	0.262	3	110.6385	0.405	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	111.0030	0.000	1	111.0030	0.000	1	110.8787	0.262	3	110.6385	0.405	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O){2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<3>,2|C<3>}	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	110.6385	0.405	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	114.4920	0.000	1	114.4920	0.000	1	114.4813	0.004	4	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	114.4355	0.028	2	114.4777	0.006	3	114.4813	0.004	4	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){5|C<3>}	114.5620	0.000	1	114.4777	0.006	3	114.4813	0.004	4	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	115.4830	0.427	2	115.4830	0.182	2	115.4830	0.182	2	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH){3|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){4|C<3>}	113.5940	0.000	1	113.5940	0.000	1	113.5940	0.000	1	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	113.8040	0.000	1	113.8040	0.000	1	113.8040	0.000	1	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	113.3280	0.162	5	113.3280	0.026	5	113.4740	0.097	8	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	113.8015	0.500	2	113.8015	0.250	2	113.4740	0.097	8	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	113.5490	0.000	1	113.5490	0.000	1	113.4740	0.097	8	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){2|H<1>,5|C<3>}	114.3820	0.000	1	114.3820	0.000	1	114.3820	0.000	1	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	114.6880	0.000	1	114.6880	0.000	1	112.9414	1.420	9	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	111.3410	0.000	1	111.3410	0.000	1	112.9414	1.420	9	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	113.2730	0.238	2	113.4723	0.147	3	112.9414	1.420	9	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){3|C<3>}	113.8710	0.000	1	113.4723	0.147	3	112.9414	1.420	9	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){3|C<3>}	111.5260	0.000	1	111.5260	0.000	1	112.9414	1.420	9	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,2|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	111.6040	0.000	1	111.6040	0.000	1	112.9414	1.420	9	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>}	113.8370	0.000	1	113.8370	0.000	1	112.9414	1.420	9	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	113.0600	0.000	1	113.0600	0.000	1	112.9414	1.420	9	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<3>,2|N<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O){1|C<2>,4|C<3>}	111.4380	0.000	1	111.4380	0.000	1	111.5191	1.229	7	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	110.7502	0.075	4	110.7502	0.006	4	111.5191	1.229	7	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|C<4>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	113.0975	0.077	2	113.0975	0.006	2	111.5191	1.229	7	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]N[6a]O){1|H<1>,1|N<3>,2|C<3>}	114.3930	0.000	1	114.3930	0.000	1	112.9525	4.150	2	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|S<2>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){1|N<3>,2|C<3>}	111.5120	0.000	1	111.5120	0.000	1	112.9525	4.150	2	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:C[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O){1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O){1|H<1>,5|C<3>}	113.9010	0.000	1	113.9010	0.000	1	113.9010	0.000	1	113.1979	1.787	37	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:2:3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H){1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	113.4685	9.534	8	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	114.7230	0.580	2	114.7230	0.336	2	114.3730	0.536	3	113.4685	9.534	8	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	113.6730	0.000	1	113.6730	0.000	1	114.3730	0.536	3	113.4685	9.534	8	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	110.8070	0.000	1	110.8070	0.000	1	110.6763	0.137	3	113.4685	9.534	8	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	110.2590	0.000	1	110.2590	0.000	1	110.6763	0.137	3	113.4685	9.534	8	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	110.9630	0.000	1	110.9630	0.000	1	110.6763	0.137	3	113.4685	9.534	8	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:2:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	113.4685	9.534	8	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<3>,2|C<4>}	113.9770	0.000	1	113.9770	0.000	1	113.9770	0.000	1	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	111.3535	0.371	2	111.6142	0.138	4	111.5053	0.164	10	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	111.8750	0.054	2	111.6142	0.138	4	111.5053	0.164	10	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	110.9400	0.000	1	110.9400	0.000	1	111.5053	0.164	10	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Cu<5>,1|C<3>,2|C<4>}	111.1215	0.172	2	111.5312	0.174	5	111.5053	0.164	10	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Ni<6>,1|C<3>,2|C<4>}	111.7115	0.233	2	111.5312	0.174	5	111.5053	0.164	10	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	111.9900	0.000	1	111.5312	0.174	5	111.5053	0.164	10	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	113.7690	0.150	2	113.7690	0.022	2	113.1970	0.623	4	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	113.1440	0.000	1	113.1440	0.000	1	113.1970	0.623	4	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	112.1060	0.000	1	112.1060	0.000	1	113.1970	0.623	4	112.1212	1.087	15	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	116.1120	0.000	1	116.1120	0.000	1	115.2420	1.514	2	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	114.3720	0.000	1	114.3720	0.000	1	115.2420	1.514	2	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	114.5350	0.000	1	114.6130	0.012	2	114.6130	0.012	2	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>,3|C<3>}	114.6910	0.000	1	114.6130	0.012	2	114.6130	0.012	2	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	116.5170	0.000	1	116.5170	0.000	1	116.3325	0.068	2	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	116.1480	0.000	1	116.1480	0.000	1	116.3325	0.068	2	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	114.8760	0.000	1	114.8760	0.000	1	114.3668	0.096	5	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	114.1160	0.000	1	114.1160	0.000	1	114.3668	0.096	5	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	114.2807	0.140	3	114.2807	0.020	3	114.3668	0.096	5	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	114.2902	0.238	6	114.2902	0.057	6	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	111.3525	0.503	2	111.3525	0.253	2	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	111.5960	0.000	1	111.5960	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>}	112.4880	0.000	1	112.4880	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<3>,2|C<4>}	112.6460	0.000	1	112.6460	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>}	113.1430	0.000	1	113.1430	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	113.0890	0.000	1	113.0890	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	113.2100	0.190	2	113.2100	0.036	2	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,4|C<4>}	114.8660	0.000	1	114.2350	0.796	2	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	113.6040	0.000	1	114.2350	0.796	2	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O){2|C<4>,5|C<3>}	113.9300	0.000	1	113.9300	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	113.6770	0.223	2	113.6770	0.050	2	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>}	112.9950	0.000	1	112.9950	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>}	112.4253	0.182	3	112.4253	0.033	3	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>}	112.1030	0.000	1	112.1030	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	113.1730	0.000	1	113.1730	0.000	1	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	112.7237	0.195	3	112.7237	0.038	3	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>}	111.9330	0.295	4	111.9330	0.087	4	113.0010	0.974	33	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	111.5900	0.511	5	111.5405	0.158	8	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	111.4580	0.112	3	111.5405	0.158	8	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|C<4>}	111.6100	0.000	1	111.8525	0.118	2	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	112.0950	0.000	1	111.8525	0.118	2	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	111.7720	0.655	106	111.7574	0.411	118	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	110.9790	0.007	2	111.7574	0.411	118	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|C<4>}	112.8560	0.000	1	111.7574	0.411	118	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>}	111.4940	0.091	2	111.7574	0.411	118	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,3|C<4>}	111.6570	0.000	1	111.7574	0.411	118	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	111.8430	0.351	2	111.7574	0.411	118	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	111.7157	0.263	3	111.7574	0.411	118	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	111.2540	0.000	1	111.7574	0.411	118	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	111.9572	0.538	69	111.9687	0.295	70	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	112.7630	0.000	1	111.9687	0.295	70	111.8243	0.367	198	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Co)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Co<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Co)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	113.1190	0.000	1	113.1190	0.000	1	112.7487	0.401	7	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Mg)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Mg<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Mg)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	113.2990	0.000	1	113.2990	0.000	1	112.7487	0.401	7	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Pt)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Pt<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Pt)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	111.8705	0.431	2	111.8705	0.185	2	112.7487	0.401	7	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	113.0630	0.000	1	113.0273	0.001	3	112.7487	0.401	7	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Zn)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	113.0095	0.029	2	113.0273	0.001	3	112.7487	0.401	7	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,3|H<1>}	116.0070	0.000	1	116.0070	0.000	1	116.0070	0.000	1	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	111.9490	0.000	1	111.9490	0.000	1	112.7320	1.226	2	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO){2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]N[6a]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	113.5150	0.000	1	113.5150	0.000	1	112.7320	1.226	2	112.1896	1.217	253	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:4:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>}	118.1130	0.000	1	118.2185	0.022	2	118.2185	0.022	2	118.2185	0.022	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:1:	3:4:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>}	118.3240	0.000	1	118.2185	0.022	2	118.2185	0.022	2	118.2185	0.022	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.3055	1.218	2	119.3055	1.484	2	119.3055	1.484	2	119.3055	1.484	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	115.6520	0.000	1	115.6520	0.000	1	115.9505	0.178	2	115.9505	0.178	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	116.2490	0.000	1	116.2490	0.000	1	115.9505	0.178	2	115.9505	0.178	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	116.3570	0.684	2	116.3570	0.469	2	116.3570	0.469	2	118.1995	4.683	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	120.0420	0.000	2	120.0420	0.000	2	120.0420	0.000	2	118.1995	4.683	4	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	116.4290	0.021	2	116.4290	0.000	2	116.4290	0.000	2	116.4290	0.000	2	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:4:	3:2:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	112.4260	3.442	470	112.3053	4.380	635
643	217	727	6:SP2_SP2_SP2	C[6a]	N[6a]	C[5a,6a]	3:3:4:	3:3:4:	3:3:2:	C[5a,6a]-3:N[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H)	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	115.5185	0.325	2	115.5185	0.105	2	115.5185	0.105	2	115.5185	0.105	2	112.4260	3.442	470	112.3053	4.380	635
643	217	762	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6])	C[6](C[6,6a]C[6,6a]N[6,6a])(C[6]C[6,6]H)(H)	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6,6a])(C[6]C[6,6]H)(H){1|B<4>,1|N<3>,3|C<3>}	121.1530	0.000	1	121.1530	0.000	1	121.1530	0.000	1	121.1530	0.000	1	121.1530	0.000	1	120.3247	18.310	8
643	217	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H){2|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|O<2>,5|C<3>}	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	116.6490	44.916	2	120.4600	24.937	6	120.3247	18.310	8
643	217	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	116.6490	44.916	2	120.4600	24.937	6	120.3247	18.310	8
643	217	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|S<1>,2|O<1>,3|N<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	121.0590	0.000	2	121.0590	0.000	2	120.6527	0.495	3	120.6527	0.495	3	120.4600	24.937	6	120.3247	18.310	8
643	217	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.8400	0.000	1	119.8400	0.000	1	120.6527	0.495	3	120.6527	0.495	3	120.4600	24.937	6	120.3247	18.310	8
643	217	762	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C)	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(CCH){1|C<4>,1|H<1>,3|C<3>}	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	120.4600	24.937	6	120.3247	18.310	8
643	217	762	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]N[6a]Cu)(N[6a]N[6a]H)	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]Cu)(H)	C[6](C[6a]N[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]N[6a]Cu)(N[6a]N[6a]H){1|Cu<4>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]Cu)(H){1|Cu<4>,2|C<3>,2|N<3>}	C[6](C[6a]N[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	120.3247	18.310	8
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6])	C[6](C[6,6a]N[6,6,6a]C[6a,6a])(C[6]C[6a]C[6])(H)	C[6,6a](N[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]N[6,6,6a]C[6a,6a])(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	119.1310	0.000	1	119.1310	0.000	1	119.1310	0.000	1	118.7983	0.187	3	118.7983	0.187	3	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:Ge[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6,6a](C[6,6a]C[6a]C[6])2(Ge[6,6]N[6]2)	C[6](C[6,6a]N[6,6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	N[6,6,6a](C[6,6a]C[6a]C[6])2(Ge[6,6]N[6]2){2|Si<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]N[6,6,6a]C[6a])(C[6]C[6a]N[6])(H){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	118.6320	0.457	2	118.6320	0.209	2	118.6320	0.209	2	118.7983	0.187	3	118.7983	0.187	3	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	118.6247	4.252	3	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|O<1>,5|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6a]C[6])(H){6|C<3>}	116.3880	0.000	1	116.3880	0.000	1	116.3880	0.000	1	118.6247	4.252	3	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	118.6247	4.252	3	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:4:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:2:3:	3:3:4:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O){1|C<4>,1|H<1>,4|C<3>}	118.6810	0.000	1	118.6810	0.000	1	118.6810	0.000	1	118.8575	0.062	2	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:2:3:	3:3:4:	3:3:1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>}	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	118.8575	0.062	2	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:2:3:	3:3:4:	3:3:3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC){1|C<4>,1|O<1>,2|C<3>}	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	114.3560	0.000	1	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H)	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[5,6a]N[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6a]N[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	117.7470	0.000	1	117.7470	0.000	1	117.7470	0.000	1	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	118.0740	1.755	2	118.0740	3.080	2	118.3487	1.766	3	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	118.8980	0.000	1	118.8980	0.000	1	118.3487	1.766	3	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.7270	0.000	1	118.5208	0.034	4	118.5208	0.034	4	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	118.4520	0.150	3	118.5208	0.034	4	118.5208	0.034	4	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	116.7830	0.000	1	116.7830	0.000	1	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,3|C<3>}	118.3880	0.000	1	118.3880	0.000	1	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.0350	0.243	2	118.8380	0.146	3	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.4440	0.000	1	118.8380	0.146	3	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.3490	0.000	1	118.3490	0.000	1	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|Ru<6>,1|H<1>,5|C<3>}	118.4790	0.000	1	118.4790	0.000	1	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.2080	0.000	1	119.2080	0.000	1	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.5380	0.000	1	118.5380	0.000	1	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.9570	0.000	1	119.9570	0.000	1	118.6216	0.677	10	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,4|C<3>}	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Ge[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]Ge[6a]C[6])(C[6a]C[6a]Si)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]Ge[6a]C[6])(C[6a]C[6a]Si)(C[6]C[6]H){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	118.4510	0.000	1	118.4510	0.000	1	118.4510	0.000	1	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	118.7266	1.275	22	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6])	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	117.6840	0.113	2	117.6840	0.013	2	117.6840	0.013	2	117.3730	0.297	3	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	117.3730	0.297	3	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	120.5420	0.000	1	120.8735	0.220	2	121.2651	0.291	10	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.2050	0.000	1	120.8735	0.220	2	121.2651	0.291	10	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Mo)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Mo){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.1760	0.000	1	121.1760	0.000	1	121.2651	0.291	10	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){2|C<3>,2|H<1>,2|N<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.3650	0.352	2	121.3650	0.124	2	121.2651	0.291	10	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.1965	0.824	2	121.1965	0.679	2	121.2651	0.291	10	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Te)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Te<2>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Te){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.5940	1.007	2	121.5940	1.014	2	121.2651	0.291	10	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]W)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|N<3>,1|W<9>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]W){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.4170	0.000	1	121.4170	0.000	1	121.2651	0.291	10	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H){2|Si<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	120.5190	0.000	1	120.5190	0.000	1	121.1527	0.551	4	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.5985	0.887	2	121.3640	0.559	3	121.1527	0.551	4	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){1|Fe<5>,2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	120.8950	0.000	1	121.3640	0.559	3	121.1527	0.551	4	121.2330	0.331	14	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){2|F<1>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	117.9230	0.000	1	117.9230	0.000	1	119.3160	1.376	4	119.3160	1.376	4	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.7500	0.000	1	120.7500	0.000	1	119.3160	1.376	4	119.3160	1.376	4	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]C)(H){1|B<4>,1|H<1>,3|C<3>}	119.2955	0.363	2	119.2955	0.132	2	119.3160	1.376	4	119.3160	1.376	4	119.2971	2.794	53	119.2703	2.662	56
643	217	762	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C){2|C<4>,2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	119.2971	2.794	53	119.2703	2.662	56
643	217	781	6:SP2_SP2_SP3	C[6a]	N[6a]	N[6a]	4:3:1:	4:3:3:	3:3:4:4:	N[6a]-4:N[6a]-3:O-1:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O)	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O){6|C<3>}	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,2|H<1>,8|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2{1|B<4>,1|H<1>,3|C<3>}	116.8700	0.000	1	116.8700	0.000	1	116.8700	0.000	1	116.8700	0.000	1	116.8700	0.000	1	116.8700	0.000	1
643	217	790	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H)	Cl(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H){2|C<3>}	Cl(C[6a]N[6a]2)	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	115.2063	4.821	10	115.2063	4.821	10
643	217	790	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H)	Cl(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H){1|N<3>,3|C<3>}	Cl(C[6a]C[5,6a]N[6a])	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	115.3922	5.034	9	115.2063	4.821	10	115.2063	4.821	10
643	217	790	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	112.1220	0.000	1	112.1220	0.000	1	114.7561	1.592	8	115.3922	5.034	9	115.2063	4.821	10	115.2063	4.821	10
643	217	790	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl){1|O<2>,2|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H){1|Cl<1>,1|C<3>}	Cl(C[6a]C[6a]N[6a])	114.7150	0.000	1	114.7150	0.000	1	114.7561	1.592	8	115.3922	5.034	9	115.2063	4.821	10	115.2063	4.821	10
643	217	790	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]N[6a])	114.9000	0.000	1	114.7542	0.189	4	114.7561	1.592	8	115.3922	5.034	9	115.2063	4.821	10	115.2063	4.821	10
643	217	790	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]N[6a])	114.7057	0.519	3	114.7542	0.189	4	114.7561	1.592	8	115.3922	5.034	9	115.2063	4.821	10	115.2063	4.821	10
643	217	790	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	Cl(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	Cl(C[6a]C[6a]N[6a])	116.0975	0.189	2	116.0975	0.036	2	114.7561	1.592	8	115.3922	5.034	9	115.2063	4.821	10	115.2063	4.821	10
643	217	811	6:SP2_SP2_SP3	C[6a,6a]	N[6a,6a]	B[3x6a]	4:3:2:	4:3:3:	3:3:3:3:	B[3x6a]-4:N[6a,6a]-3:C-2:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN)	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN){2|N<3>,7|C<3>}	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2){2|C<4>,2|N<3>,7|C<3>}	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1
643	217	813	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5a]	2:3:3:	3:3:4:	3:3:3:	N[6a]-2:N[5a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,2|C<3>}	116.6330	0.000	1	116.6330	0.000	1	116.6330	0.000	1	116.6330	0.000	1	116.8524	1.660	7	116.8524	1.660	7
643	217	813	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:2:3:	N[5a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2){1|H<1>,2|C<3>,2|C<4>}	114.3530	0.000	1	114.3530	0.000	1	114.3530	0.000	1	114.3530	0.000	1	116.8524	1.660	7	116.8524	1.660	7
643	217	813	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	116.1820	0.000	1	116.8524	1.660	7	116.8524	1.660	7
643	217	813	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	118.1710	0.000	1	117.6997	0.114	4	117.6997	0.114	4	117.6997	0.114	4	116.8524	1.660	7	116.8524	1.660	7
643	217	813	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	117.5427	0.151	3	117.6997	0.114	4	117.6997	0.114	4	117.6997	0.114	4	116.8524	1.660	7	116.8524	1.660	7
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5,6a]	3:3:1:	3:3:1:	3:4:3:	N[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	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>}	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	114.7000	0.000	1	114.7000	0.000	1	114.7000	0.000	1	114.7000	0.000	1	114.5895	0.024	2	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5,6a]	3:3:1:	3:3:4:	3:3:4:	N[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH)	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>}	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	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>}	114.4790	0.000	1	114.4790	0.000	1	114.4790	0.000	1	114.4790	0.000	1	114.5895	0.024	2	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	110.5140	0.219	3	110.5140	0.048	3	110.7133	0.053	12	110.7133	0.053	12	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	110.7763	0.171	7	110.7763	0.029	7	110.7133	0.053	12	110.7133	0.053	12	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	110.5140	0.000	1	110.5140	0.000	1	110.7133	0.053	12	110.7133	0.053	12	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	111.0700	0.000	1	111.0700	0.000	1	110.7133	0.053	12	110.7133	0.053	12	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	112.1810	0.000	1	112.3810	0.080	2	112.3810	0.080	2	111.8937	0.752	3	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	112.5810	0.000	1	112.3810	0.080	2	112.3810	0.080	2	111.8937	0.752	3	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	110.9190	0.000	1	110.9190	0.000	1	110.9190	0.000	1	111.8937	0.752	3	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	114.6940	0.000	1	114.6940	0.000	1	114.5790	0.013	3	114.5790	0.013	3	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	114.5215	0.073	2	114.5215	0.005	2	114.5790	0.013	3	114.5790	0.013	3	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	115.5305	0.465	2	115.5305	0.216	2	115.5305	0.216	2	115.5305	0.216	2	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){7|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:2:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	113.7850	0.000	1	113.7850	0.000	1	113.6195	0.055	2	113.6195	0.055	2	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<4>,3|C<3>}	113.4540	0.000	1	113.4540	0.000	1	113.6195	0.055	2	113.6195	0.055	2	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	115.0790	0.006	2	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O){1|C<4>,4|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	115.0790	0.006	2	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:4:3:	3:3:2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|C<4>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	112.5399	3.789	28	112.6765	3.799	30
643	217	813	6:SP2_SP2_SP2	C[6a]	N[6a]	N[5a,6a]	3:3:1:	3:4:3:	3:3:3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.5399	3.789	28	112.6765	3.799	30
643	217	818	0:SP2_SP2_SP2	C[6a]	N[6a]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|C<4>,3|O<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	125.1170	0.000	2	125.1170	0.000	2	125.1170	0.000	2	125.1170	0.000	2	125.1170	0.000	2	125.1170	0.000	2
643	217	856	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	119.1170	0.000	2	119.1170	0.000	2	119.1170	0.000	2	119.1170	0.000	2	119.1170	0.000	2	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H){1|N<3>,1|O<2>,2|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	115.0390	2.192	2	118.6994	8.873	7	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,2|H<1>,4|C<3>}	116.0860	0.000	1	116.0860	0.000	1	116.0860	0.000	1	115.0390	2.192	2	118.6994	8.873	7	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3){1|N<2>,2|H<1>,4|C<3>}	120.9575	0.555	4	120.9575	0.308	4	120.9575	0.308	4	120.9575	0.308	4	118.6994	8.873	7	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){3|C<4>,4|C<3>}	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	118.6994	8.873	7	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	116.2400	0.000	1	116.6588	0.646	5	116.6588	0.646	5	116.6588	0.646	5	116.4824	2.679	12	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	115.7560	0.000	1	116.6588	0.646	5	116.6588	0.646	5	116.6588	0.646	5	116.4824	2.679	12	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	116.3120	0.000	1	116.6588	0.646	5	116.6588	0.646	5	116.6588	0.646	5	116.4824	2.679	12	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	117.4930	0.288	2	116.6588	0.646	5	116.6588	0.646	5	116.6588	0.646	5	116.4824	2.679	12	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6]	2:3:3:	3:3:4:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	117.1550	0.000	1	117.1550	0.000	1	117.1550	0.000	1	117.1550	0.000	1	116.4824	2.679	12	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6]	3:2:3:	3:3:1:	3:4:4:	N[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	118.8945	0.159	2	118.8945	0.025	2	118.8945	0.025	2	118.8945	0.025	2	116.4824	2.679	12	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{3|C<3>,4|H<1>}	114.0290	0.000	1	114.0290	0.000	1	114.0290	0.000	1	114.0290	0.000	1	116.4824	2.679	12	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.1740	1.315	3	115.1740	1.729	3	115.1740	1.729	3	115.1740	1.729	3	116.4824	2.679	12	117.4723	5.521	21
643	217	856	0:SP2_SP2_SP3	C[6,6a]	N[6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:N[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H){2|C<4>,4|C<3>}	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	118.3780	0.000	1	118.3780	0.000	1	116.9270	1.785	5	116.9270	1.785	5	115.9675	2.182	11	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	117.4560	0.000	1	117.1600	0.124	3	116.9270	1.785	5	116.9270	1.785	5	115.9675	2.182	11	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	117.2540	0.000	1	117.1600	0.124	3	116.9270	1.785	5	116.9270	1.785	5	115.9675	2.182	11	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	116.7700	0.000	1	117.1600	0.124	3	116.9270	1.785	5	116.9270	1.785	5	115.9675	2.182	11	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	2:3:3:	3:3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	114.7770	0.000	1	114.7770	0.000	1	116.9270	1.785	5	116.9270	1.785	5	115.9675	2.182	11	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	2:3:3:	3:3:4:	3:4:4:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.9700	0.000	1	115.9700	0.000	1	115.9700	0.000	1	115.9700	0.000	1	115.9675	2.182	11	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	3:2:3:	3:3:4:	3:4:4:	N[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3)	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	115.9675	2.182	11	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.5337	0.233	3	114.4907	0.044	4	114.4907	0.044	4	114.4907	0.044	4	115.9675	2.182	11	116.0892	2.161	12
643	217	856	0:SP2_SP2_SP3	C[6a]	N[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	114.3620	0.000	1	114.4907	0.044	4	114.4907	0.044	4	114.4907	0.044	4	115.9675	2.182	11	116.0892	2.161	12
643	217	856	6:SP2_SP2_SP2	C[6,6,6a]	N[6,6a]	N[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6,6a]-3:N[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH)	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,2|N<3>,2|O<1>,2|S<1>,4|H<1>}	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	117.9800	0.000	1	117.9800	0.000	1	117.9800	0.000	1	117.9800	0.000	1	117.9800	0.000	1	117.9134	2.000	7
643	217	856	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:2:3:	3:4:3:	3:3:1:	N[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H)	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	117.9023	2.399	6	117.9134	2.000	7
643	217	856	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	119.7830	0.000	1	119.7830	0.000	1	119.7830	0.000	1	119.7830	0.000	1	117.9023	2.399	6	117.9134	2.000	7
643	217	856	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	118.9070	0.000	1	118.2150	0.958	2	118.2150	0.958	2	118.2150	0.958	2	117.9023	2.399	6	117.9134	2.000	7
643	217	856	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|O<1>,3|C<3>,4|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	117.5230	0.000	1	118.2150	0.958	2	118.2150	0.958	2	118.2150	0.958	2	117.9023	2.399	6	117.9134	2.000	7
643	217	856	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	117.9023	2.399	6	117.9134	2.000	7
643	217	856	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6]	3:3:3:	4:3:3:	3:4:1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H)	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O)	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	115.7320	0.000	1	117.9023	2.399	6	117.9134	2.000	7
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6,6a]	O	3:3:1:	3:4:3:	3:	N[6,6,6a]-3:C[6a,6a]-3:O-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O)	O(C[6a]N[6,6,6a]C[6a,6a])	C[6a](N[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	O(C[6a]N[6,6,6a]C[6a,6a])	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:2:1:	3:3:4:	3:	N[6,6a]-3:N[6a]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]N[6,6a]N[6a])	118.5860	0.000	1	118.5860	0.000	1	118.5860	0.000	1	118.5860	0.000	1	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:2:1:	4:3:3:	3:	N[6,6a]-3:N[6a]-2:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O)	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6a]N[6,6a]N[6a])	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]N[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6])	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]N[6])(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	O(C[6a]C[5a,6a]N[6,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O){6|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6]){1|S<2>,7|C<3>}	O(C[6a]C[5a,6a]N[6,6a])	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	O(C[6a]C[6,6a]N[6,6a])	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6,6a]N[6,6a])	120.4150	0.000	1	120.4150	0.000	1	120.4150	0.000	1	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	119.8410	0.000	1	119.8410	0.000	1	120.9325	0.603	4	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,6|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,7|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	120.9380	0.000	1	120.9380	0.000	1	120.9325	0.603	4	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,2|C<3>,2|C<4>,2|N<2>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	121.5930	0.000	1	121.5930	0.000	1	120.9325	0.603	4	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,1|N<2>,5|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	121.3580	0.000	1	121.3580	0.000	1	120.9325	0.603	4	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O){1|C<2>,2|H<1>,5|C<3>}	O(C[6a]N[6,6a]C[6a])	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(O)	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(O){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	O(C[6a]N[6,6a]C[6a])	117.9920	0.000	1	117.9920	0.000	1	118.8323	1.023	3	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]N[6,6a]C[6a])	118.5500	0.000	1	118.5500	0.000	1	118.8323	1.023	3	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]N[6,6a]C[6a])	119.9550	0.000	1	119.9550	0.000	1	118.8323	1.023	3	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:3:	3:	N[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O){1|N<2>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	O(C[6a]N[6,6a]N[6a])	122.7167	0.021	3	122.7167	0.000	3	122.7167	0.000	3	120.8029	2.245	13	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	119.2913	1.621	3	119.2913	2.629	3	119.2913	2.629	3	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	120.9710	0.000	1	120.9710	0.000	1	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	120.5740	0.000	1	120.5740	0.000	1	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	120.8257	0.195	6	120.8257	0.038	6	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	120.6570	0.206	2	120.6570	0.043	2	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a,6a]N[6,6a])	117.6170	0.000	1	117.6170	0.000	1	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO){1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	120.7660	0.000	1	120.7660	0.000	1	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	120.5540	0.000	1	120.3420	0.171	9	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,2|O<1>}	O(C[6a]C[6a,6a]N[6,6a])	119.7690	0.000	1	120.3420	0.171	9	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	120.5798	0.464	4	120.3420	0.171	9	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	120.1610	0.000	1	120.3420	0.171	9	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	O(C[6a]C[6a,6a]N[6,6a])	120.1060	0.000	1	120.3420	0.171	9	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	120.1690	0.000	1	120.3420	0.171	9	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	120.5490	0.654	4	120.5490	0.428	4	120.4588	0.515	25	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O){1|C<4>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]N[6,6a]C[6a])	119.8180	0.000	1	119.8180	0.000	1	120.2245	0.330	2	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]S)(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	O(C[6a]N[6,6a]C[6a])	120.6310	0.000	1	120.6310	0.000	1	120.2245	0.330	2	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O(C[6a]N[6,6a]C[6a])	121.3100	0.000	1	121.3100	0.000	1	119.6939	0.859	7	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|N<2>,2|H<1>,3|C<4>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]N[6,6a]C[6a])	119.3997	0.344	3	119.3997	0.118	3	119.6939	0.859	7	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	O(C[6a]N[6,6a]C[6a])	120.4560	0.000	1	120.4560	0.000	1	119.6939	0.859	7	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]N[6,6a]C[6a])	118.5280	0.000	1	118.9460	0.349	2	119.6939	0.859	7	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|N<3>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]N[6,6a]C[6a])	119.3640	0.000	1	118.9460	0.349	2	119.6939	0.859	7	120.2068	0.807	37	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	121.0240	0.000	1	121.0240	0.000	1	120.6300	0.310	2	118.0398	2.191	24	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	120.2360	0.000	1	120.2360	0.000	1	120.6300	0.310	2	118.0398	2.191	24	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:4:3:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|H<1>,3|C<4>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6a]N[6,6a]C[6a])	119.4110	0.000	1	119.4110	0.000	1	117.8043	1.688	22	118.0398	2.191	24	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	3:4:3:	3:	N[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	O(C[6a]N[6,6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|C<4>,3|H<1>}	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6a]N[6,6a]C[6a])	117.7278	1.280	21	117.7278	1.637	21	117.8043	1.688	22	118.0398	2.191	24	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	4:3:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[5,6])(O)	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[5,6])(O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O){1|O<2>,9|C<3>}	O(C[6a]C[6a,6a]N[6,6a])	121.5750	0.091	2	121.5750	0.008	2	121.5750	0.008	2	121.3003	0.714	10	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	4:3:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O)	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O){2|H<1>,3|C<3>,3|C<4>}	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O){1|Si<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	119.7240	0.000	1	119.7240	0.000	1	119.8590	0.036	2	121.3003	0.714	10	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	4:3:3:	3:	C[6a,6a]-3:N[6,6a]-3:O-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O)	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O){2|H<1>,3|C<3>,3|C<4>}	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|Br<1>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[6,6a])	119.9940	0.000	1	119.9940	0.000	1	119.8590	0.036	2	121.3003	0.714	10	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	4:3:3:	3:	N[6,6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,3|H<1>,4|C<4>}	O(C[6a]N[6,6a]N[6a])	121.7150	0.000	1	121.7150	0.000	1	121.6892	0.234	6	121.3003	0.714	10	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	4:3:3:	3:	N[6,6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6a]N[6,6a]N[6a])	121.7290	0.000	1	121.7290	0.000	1	121.6892	0.234	6	121.3003	0.714	10	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	4:3:3:	3:	N[6,6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6a]N[6,6a]N[6a])	121.0260	0.000	1	121.6728	0.389	4	121.6892	0.234	6	121.3003	0.714	10	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6,6a]	O	3:3:1:	4:3:3:	3:	N[6,6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,3|C<4>,5|H<1>}	O(C[6a]N[6,6a]N[6a])	121.8883	0.551	3	121.6728	0.389	4	121.6892	0.234	6	121.3003	0.714	10	119.7912	2.708	87	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O){6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	O(C[6a]C[5a,6a]N[6a,6a])	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	120.0380	0.000	1	120.0380	0.000	1	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|F<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	119.9780	0.000	1	120.5477	0.251	3	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	120.8325	0.125	2	120.5477	0.251	3	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.7365	0.074	2	121.4146	0.117	5	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.2000	0.242	3	121.4146	0.117	5	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.9250	0.000	1	121.9250	0.000	1	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.2982	0.630	4	121.2982	0.397	4	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	120.3920	0.000	1	120.3920	0.000	1	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	120.7965	0.105	2	120.8660	0.020	3	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.0050	0.000	1	120.8660	0.020	3	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	119.3090	0.000	1	119.3090	0.000	1	120.9564	0.503	19	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]N[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]N[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	120.9670	0.123	2	121.1120	0.071	3	121.1120	0.071	3	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.4020	0.000	1	121.1120	0.071	3	121.1120	0.071	3	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](N[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](N[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	120.4705	0.341	4	120.4705	0.116	4	120.4705	0.116	4	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.3880	0.055	3	121.3880	0.003	3	121.3880	0.003	3	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]N[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a,6a])	C[6a](N[6a,6a]N[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a,6a])	120.5390	0.000	1	120.5390	0.000	1	120.5390	0.000	1	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|O<2>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	O(C[6a]N[6a,6a]C[6a])	120.9730	0.373	2	120.9730	0.139	2	121.6364	0.672	5	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|Cl<1>,2|C<3>,2|N<2>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	O(C[6a]N[6a,6a]C[6a])	122.3960	0.690	2	122.3960	0.476	2	121.6364	0.672	5	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(O){5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	O(C[6a]N[6a,6a]C[6a])	121.4440	0.000	1	121.4440	0.000	1	121.6364	0.672	5	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(O)	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	118.5510	0.000	1	118.5510	0.000	1	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	117.3587	0.335	3	117.3587	0.112	3	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	114.6240	0.000	1	114.6240	0.000	1	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]N[6a,6a]C[6a])	114.5690	0.000	1	114.5690	0.000	1	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,7|C<3>}	O(C[6a]N[6a,6a]C[6a])	119.8670	0.000	1	120.0015	0.036	2	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,5|C<3>}	O(C[6a]N[6a,6a]C[6a])	120.1360	0.000	1	120.0015	0.036	2	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]N[6a,6a]C[6a])	118.5020	0.000	1	118.5635	0.240	4	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]N[6a,6a]C[6a])	117.8940	0.000	1	118.5635	0.240	4	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]N[6a,6a]C[6a])	118.9290	0.000	2	118.5635	0.240	4	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	116.9000	0.000	1	116.9000	0.000	1	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,3|C<3>}	O(C[6a]N[6a,6a]C[6a])	119.0960	0.000	1	119.0960	0.000	1	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	117.9300	0.000	1	118.2486	0.151	5	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	118.1230	0.000	1	118.2486	0.151	5	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	O(C[6a]N[6a,6a]C[6a])	118.0020	0.000	1	118.2486	0.151	5	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	118.5940	0.431	2	118.2486	0.151	5	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]N[6a,6a]C[6a])	119.6280	0.000	1	119.6280	0.000	1	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	121.0990	0.000	1	121.0990	0.000	1	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]N[6a,6a]C[6a])	117.4968	0.228	5	117.4365	0.063	6	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	O(C[6a]N[6a,6a]C[6a])	117.1350	0.000	1	117.4365	0.063	6	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>,2|H<1>}	O(C[6a]N[6a,6a]C[6a])	119.2920	0.000	1	119.2920	0.000	1	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,3|N<2>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	O(C[6a]N[6a,6a]C[6a])	120.9470	0.000	1	120.4315	0.531	2	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){2|C<4>,3|N<2>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	O(C[6a]N[6a,6a]C[6a])	119.9160	0.000	1	120.4315	0.531	2	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|N<3>,3|N<2>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N){1|H<1>,2|C<3>}	O(C[6a]N[6a,6a]C[6a])	120.8720	0.000	2	120.8720	0.000	2	118.3925	2.528	32	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6a]N[6a,6a]C[6a])	122.0770	0.000	1	122.0770	0.000	1	122.0770	0.000	1	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]N[6a,6a]C[6a])	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O(C[6a]N[6a,6a]C[6a])	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a,6a]N[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|N<2>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]N[6a,6a]N[6a])	121.6270	0.000	1	121.6270	0.000	1	121.4955	0.035	2	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	O	3:3:1:	3:3:3:	3:	N[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a,6a]N[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	O(C[6a]N[6a,6a]N[6a])	121.3640	0.000	1	121.3640	0.000	1	121.4955	0.035	2	119.9152	3.113	76	119.9152	3.113	76	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	2:3:1:	3:	N[6a]-2:N[6a]-3:O-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O){2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]N[6a]2)	103.5200	0.000	1	103.5200	0.000	1	103.5200	0.000	1	103.5200	0.000	1	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	118.8710	0.624	2	118.8710	0.389	2	118.2396	0.987	10	118.2396	0.987	10	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]N[6a]2)	116.6220	0.083	2	116.6220	0.007	2	118.2396	0.987	10	118.2396	0.987	10	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)	118.3077	0.422	3	118.5683	0.361	6	118.2396	0.987	10	118.2396	0.987	10	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:1:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]N[6a]2)	118.8290	0.722	3	118.5683	0.361	6	118.2396	0.987	10	118.2396	0.987	10	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	O(C[6a]N[6a]2)	117.4400	0.301	2	117.4400	0.091	2	117.4400	0.091	2	117.4400	0.091	2	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O(C[6a]N[6a]2)	118.7205	0.524	2	118.7205	0.275	2	118.2140	0.417	9	118.2140	0.417	9	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	O(C[6a]N[6a]2)	117.1420	0.000	1	117.1420	0.000	1	118.2140	0.417	9	118.2140	0.417	9	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)	118.2587	0.634	3	118.2587	0.401	3	118.2140	0.417	9	118.2140	0.417	9	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)	118.7500	0.000	1	118.7500	0.000	1	118.2140	0.417	9	118.2140	0.417	9	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:4:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)	117.9085	0.343	2	117.9085	0.118	2	118.2140	0.417	9	118.2140	0.417	9	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:2:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O){2|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	120.0840	0.000	1	120.0840	0.000	1	121.8560	6.280	2	121.8560	6.280	2	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:2:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	O(C[6a]N[6a]2)	123.6280	0.000	1	123.6280	0.000	1	121.8560	6.280	2	121.8560	6.280	2	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	O(C[6a]N[6a]2)	119.1188	0.747	4	119.1188	0.559	4	118.8328	0.828	5	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	117.6890	0.000	1	117.6890	0.000	1	118.8328	0.828	5	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]N[6a]2)	117.8750	0.611	3	117.8750	0.373	3	117.8750	0.373	3	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]N[6a]2)	118.9320	0.000	1	118.9320	0.000	1	118.9320	0.000	1	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.3775	0.439	2	119.3205	0.145	4	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]N[6a]2)	119.2635	0.480	2	119.3205	0.145	4	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	O(C[6a]N[6a]2)	120.1440	0.184	2	119.5308	1.277	81	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	O(C[6a]N[6a]2)	119.2308	0.689	45	119.5308	1.277	81	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.7233	1.289	32	119.5308	1.277	81	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	124.1690	0.000	1	119.5308	1.277	81	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	O(C[6a]N[6a]2)	121.0120	0.000	1	119.5308	1.277	81	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	122.3730	0.229	2	122.3730	0.052	2	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	118.3570	0.409	4	118.3570	0.168	4	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]N[6a]2)	118.9840	0.000	1	118.9840	0.000	1	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	117.2150	0.000	1	117.2150	0.000	1	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H){1|C<3>}	O(C[6a]N[6a]2)	119.0127	0.437	3	119.0127	0.191	3	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.9480	0.000	1	119.5747	0.106	3	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>}	O(C[6a]N[6a]2)	119.3490	0.000	1	119.5747	0.106	3	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.4270	0.000	1	119.5747	0.106	3	119.4890	1.346	99	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]N[6a]O[6a])	125.2635	0.202	2	125.1920	0.061	4	125.1920	0.061	4	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]N[6a]O[6a])	125.1205	0.349	2	125.1920	0.061	4	125.1920	0.061	4	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|Br<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]O[6a])	124.2720	0.219	2	124.2720	0.048	2	124.6280	0.162	6	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]O[6a])	124.6460	0.000	1	124.6460	0.000	1	124.6280	0.162	6	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H){1|Cl<1>,1|C<3>}	O(C[6a]N[6a]O[6a])	124.7290	0.000	1	124.7290	0.000	1	124.6280	0.162	6	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:1:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]O[6a])	124.9245	0.569	2	124.9245	0.324	2	124.6280	0.162	6	119.8983	3.642	119	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:2:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	O(C[6a]N[6a]2)	119.7638	0.487	4	119.7638	0.237	4	119.7638	0.237	4	119.7638	0.237	4	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	117.9730	0.000	1	117.9730	0.000	1	117.9730	0.000	1	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6a]N[6a]2)	119.0975	0.108	2	119.0975	0.012	2	119.0975	0.012	2	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]N[6a]2)	119.2050	0.000	1	119.2050	0.000	1	118.0574	1.312	7	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	O(C[6a]N[6a]2)	117.1480	0.000	1	117.1480	0.000	1	118.0574	1.312	7	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	O(C[6a]N[6a]2)	118.7507	0.893	3	118.7507	0.798	3	118.0574	1.312	7	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,4|C<3>}	O(C[6a]N[6a]2)	116.8985	0.049	2	116.8985	0.002	2	118.0574	1.312	7	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){2|C<3>}	O(C[6a]N[6a]2)	119.5070	0.000	1	119.5070	0.000	1	119.4140	0.011	3	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){2|C<3>}	O(C[6a]N[6a]2)	119.3675	0.097	2	119.3675	0.009	2	119.4140	0.011	3	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:3:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a]2)(O[6a]C[6a])(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,4|C<3>}	O(C[6a]N[6a]O[6a])	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	119.0157	4.367	14	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){3|C<3>}	O(C[6a]N[6a]2)	120.3750	0.486	2	120.3750	0.237	2	120.3750	0.237	2	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	119.0210	0.000	1	119.0210	0.000	1	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.4740	0.000	1	118.4740	0.000	1	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>}	O(C[6a]N[6a]2)	118.6213	0.068	3	119.3287	1.840	16	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.4952	1.784	9	119.3287	1.840	16	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	119.5930	0.228	2	119.3287	1.840	16	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.6840	0.000	1	119.3287	1.840	16	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){2|C<3>}	O(C[6a]N[6a]2)	119.0680	0.000	1	119.3287	1.840	16	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.7260	0.000	1	118.7260	0.000	1	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.1410	0.000	1	118.1410	0.000	1	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.8360	0.000	1	118.8360	0.000	1	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.3830	0.000	1	118.6526	0.430	14	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.6734	0.678	13	118.6526	0.430	14	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.9080	0.000	1	119.9080	0.000	1	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	O(C[6a]N[6a]2)	118.0010	0.000	1	118.0010	0.000	1	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	118.9070	0.000	1	118.9070	0.000	1	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>}	O(C[6a]N[6a]2)	118.8708	0.172	4	118.8547	0.061	6	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	118.8225	0.460	2	118.8547	0.061	6	118.9440	0.927	44	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	O(C[6a]N[6a]O[6a])	123.8460	0.000	1	123.8460	0.000	1	124.5875	1.100	2	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){1|H<1>,3|C<3>}	O(C[6a]N[6a]O[6a])	125.3290	0.000	1	125.3290	0.000	1	124.5875	1.100	2	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	O(C[6a]N[6a]O[6a])	124.3650	0.488	2	124.3650	0.238	2	124.5797	0.257	3	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:4:	3:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	O(C[6a]N[6a]O[6a])	125.0090	0.000	1	125.0090	0.000	1	124.5797	0.257	3	119.5530	3.717	51	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:4:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,4|H<1>}	O(C[6a]N[6a]2)	119.3050	0.000	1	119.3050	0.000	1	119.3050	0.000	1	119.2318	0.238	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:4:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	118.8720	0.000	1	119.4260	0.614	2	119.4260	0.614	2	119.2318	0.238	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:4:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	119.9800	0.000	1	119.4260	0.614	2	119.4260	0.614	2	119.2318	0.238	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:4:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	119.3440	0.018	2	119.3440	0.000	2	119.0780	0.212	3	119.2318	0.238	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:4:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O)	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	118.5460	0.000	1	118.5460	0.000	1	119.0780	0.212	3	119.2318	0.238	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	117.8180	0.000	1	117.8180	0.000	1	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	116.9130	0.000	1	118.8935	2.138	36	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	118.2767	0.650	6	118.8935	2.138	36	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>,1|S<2>,2|H<1>}	O(C[6a]N[6a]2)	119.8890	1.248	4	118.8935	2.138	36	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O(C[6a]N[6a]2)	118.9363	1.616	9	118.8935	2.138	36	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	117.2850	0.000	1	118.8935	2.138	36	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	118.5542	0.867	6	118.8935	2.138	36	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	119.5470	2.030	7	118.8935	2.138	36	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	119.0855	1.459	2	118.8935	2.138	36	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	119.5580	0.000	1	119.5580	0.000	1	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	O(C[6a]N[6a]2)	118.9030	0.000	1	118.9030	0.000	1	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	119.8450	0.000	1	119.8450	0.000	1	118.9073	1.982	40	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]N[6a]2)	119.3600	0.000	1	119.1662	0.373	5	119.1568	0.299	6	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	119.1178	0.694	4	119.1662	0.373	5	119.1568	0.299	6	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	4:3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	119.1100	0.000	1	119.1100	0.000	1	119.1568	0.299	6	118.9398	1.758	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	2:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O)	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|N<3>,2|C<4>}	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]N[6a])	119.0220	0.000	1	119.0220	0.000	1	119.0220	0.000	1	119.0220	0.000	1	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	2:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(O)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.9600	0.000	1	119.9600	0.000	1	120.3247	0.243	3	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.1290	0.000	1	120.5070	0.286	2	120.3247	0.243	3	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	120.8850	0.000	1	120.5070	0.286	2	120.3247	0.243	3	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	O(C[6a]C[6,6a]N[6a])	122.0540	0.493	4	122.0540	0.243	4	122.0540	0.243	4	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1780	0.000	1	120.7071	0.544	13	120.7071	0.544	13	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6960	0.508	2	120.7071	0.544	13	120.7071	0.544	13	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.2373	1.005	3	120.7071	0.544	13	120.7071	0.544	13	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5586	0.704	7	120.7071	0.544	13	120.7071	0.544	13	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a]H)(O){1|B<3>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.7240	0.000	1	120.7240	0.000	1	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.8160	0.000	1	120.8665	0.329	4	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.8833	0.701	3	120.8665	0.329	4	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){3|C<3>}	O(C[6a]C[6a]N[6a])	119.9600	0.000	1	119.9600	0.000	1	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	O(C[6a]C[6a]N[6a])	123.7470	0.000	1	121.8460	2.747	3	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	O(C[6a]C[6a]N[6a])	120.8955	0.271	2	121.8460	2.747	3	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.5925	0.617	2	120.0149	0.291	9	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.6790	0.000	1	120.0149	0.291	9	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.9080	0.000	1	120.0149	0.291	9	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])	120.6660	0.000	1	120.0149	0.291	9	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.4880	0.000	1	120.0149	0.291	9	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.0693	0.636	3	120.0149	0.291	9	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	122.3170	0.173	2	122.3170	0.030	2	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|F<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.4860	0.000	1	119.4860	0.000	1	120.6639	1.217	21	120.7271	1.122	42	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.8160	0.000	1	121.8160	0.000	1	121.8160	0.000	1	121.1810	0.806	2	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	121.1810	0.806	2	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.4610	0.000	1	121.4610	0.000	1	120.5070	0.419	7	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1412	0.207	5	120.1412	0.043	5	120.5070	0.419	7	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.3820	0.000	1	121.3820	0.000	1	120.5070	0.419	7	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]S)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]S)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8560	0.000	1	120.8560	0.000	1	120.8560	0.000	1	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.1170	0.000	1	119.1170	0.000	1	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	O(C[6a]C[6a]N[6a])	118.9700	0.000	1	118.9700	0.000	1	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.7780	0.788	4	119.7780	0.621	4	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.2253	0.481	3	119.2253	0.231	3	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.7225	0.076	2	120.7225	0.006	2	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.9350	0.000	1	119.9350	0.000	1	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	121.8100	0.000	1	121.8100	0.000	1	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	121.0510	1.003	2	120.2646	1.381	5	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.7403	1.108	3	120.2646	1.381	5	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	121.2530	0.000	1	121.1587	0.035	3	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])	120.9420	0.000	1	121.1587	0.035	3	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	121.2810	0.000	1	121.1587	0.035	3	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])	120.5870	0.000	1	120.5870	0.000	1	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O){3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])	121.6530	0.000	1	121.6530	0.000	1	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]S)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]S)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Cl<1>,1|C<3>,1|S<2>}	O(C[6a]C[6a]N[6a])	121.3940	0.000	1	121.3940	0.000	1	120.2708	1.032	24	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH){2|C<3>}	O(C[6a]N[5a,6a]N[6a])	125.9080	0.153	3	125.9080	0.023	3	125.4230	0.338	12	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3){2|C<3>}	O(C[6a]N[5a,6a]N[6a])	125.1007	0.473	7	125.1007	0.224	7	125.4230	0.338	12	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO){2|C<3>}	O(C[6a]N[5a,6a]N[6a])	126.3590	0.000	1	126.3590	0.000	1	125.4230	0.338	12	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH){2|C<3>}	O(C[6a]N[5a,6a]N[6a])	125.2880	0.000	1	125.2880	0.000	1	125.4230	0.338	12	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	123.4950	0.000	1	123.0040	0.482	2	123.0040	0.482	2	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:2:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.5130	0.000	1	123.0040	0.482	2	123.0040	0.482	2	121.7823	5.768	46	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	121.2405	0.015	2	121.2405	0.000	2	121.2405	0.000	2	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]N[6a])	120.3110	0.000	1	120.3110	0.000	1	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	123.1880	0.000	1	121.9906	0.752	19	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	122.1163	0.643	11	121.9906	0.752	19	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	120.9215	0.095	2	121.9906	0.752	19	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	121.9022	1.168	5	121.9906	0.752	19	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	121.5130	0.520	14	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	121.1893	0.981	18	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,3|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	121.0785	0.066	2	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Os<9>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	120.1590	0.000	1	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	120.7401	1.497	15	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Re<6>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	120.1370	0.137	2	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Rh<5>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	118.9730	0.000	1	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	119.0230	0.000	1	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	117.4840	0.000	1	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<9>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	119.8680	0.000	1	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Zn<4>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	119.3390	0.000	1	120.8942	1.476	57	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	122.0780	0.262	2	121.9533	0.396	6	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	122.2747	0.222	3	121.9533	0.396	6	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[5,6a]N[6a])	120.7400	0.000	1	121.9533	0.396	6	121.2147	1.458	83	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.9500	0.260	3	119.9500	0.068	3	119.5725	0.615	4	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){5|C<3>}	O(C[6a]C[5a,6a]N[6a])	118.4400	0.000	1	118.4400	0.000	1	119.5725	0.615	4	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.1075	0.506	4	120.1075	0.256	4	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.6250	0.488	2	121.6250	0.238	2	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	122.4560	0.000	1	122.4560	0.000	1	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.4960	0.000	1	120.1487	0.344	3	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.4750	0.221	2	120.1487	0.344	3	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|Br<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.7550	0.000	1	120.4702	1.275	5	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.4370	0.000	1	120.4702	1.275	5	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.1310	0.000	1	120.4702	1.275	5	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.5140	0.785	2	120.4702	1.275	5	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.2540	0.427	2	120.2413	0.092	3	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.2160	0.000	1	120.2413	0.092	3	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.5255	0.306	2	120.5255	0.094	2	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	122.0520	0.000	1	121.3815	1.209	13	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	121.3307	1.184	11	121.3815	1.209	13	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	121.2700	0.000	1	121.3815	1.209	13	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	120.8915	0.480	2	120.3453	0.756	37	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	120.2242	0.748	33	120.3453	0.756	37	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	120.4200	0.000	1	120.3453	0.756	37	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	123.1740	0.000	1	120.3453	0.756	37	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	121.3076	0.253	13	121.2585	0.213	17	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	119.9400	0.000	1	121.2585	0.213	17	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	122.0850	0.000	1	121.2585	0.213	17	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	121.1850	0.424	2	121.2585	0.213	17	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<4>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.5455	1.090	2	121.5455	1.187	2	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	O(C[6a]C[5a,6a]N[6a])	121.8500	0.982	4	121.8500	0.964	4	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	O(C[6a]C[5a,6a]N[6a])	118.8200	0.000	1	118.8200	0.000	1	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.6410	0.051	2	121.6410	0.003	2	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.2930	0.000	1	120.2930	0.000	1	120.7806	0.958	97	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6,6a]N[6a])	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]N[6a])	118.4180	0.000	1	118.4180	0.000	1	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|O<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]N[6a])	119.9230	0.000	1	119.9230	0.000	1	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	O(C[6a]C[6,6a]N[6a])	117.5700	0.000	1	119.6940	9.023	2	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	O(C[6a]C[6,6a]N[6a])	121.8180	0.000	1	119.6940	9.023	2	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6,6a]N[6a])	118.9780	0.000	1	119.5337	0.187	6	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]N[6a])	120.0090	0.000	2	119.5337	0.187	6	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6,6a]N[6a])	119.4440	0.000	1	119.5337	0.187	6	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]N[6a])	119.6240	0.000	1	119.5337	0.187	6	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|N<2>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]N[6a])	119.1380	0.000	1	119.5337	0.187	6	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	O(C[6a]C[6,6a]N[6a])	119.2290	0.000	1	120.2728	0.663	4	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	O(C[6a]C[6,6a]N[6a])	120.6207	0.519	3	120.2728	0.663	4	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	O(C[6a]C[6,6a]N[6a])	118.2985	0.630	2	119.3217	2.837	4	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[6,6a]N[6a])	120.3450	1.981	2	119.3217	2.837	4	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6,6a]N[6a])	120.8720	0.619	4	121.0332	0.417	5	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|Pd<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6,6a]N[6a])	121.6780	0.000	1	121.0332	0.417	5	119.9337	1.523	23	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]H)(O)	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.3405	0.496	2	119.3405	0.246	2	120.2054	0.747	5	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7820	0.352	3	120.7820	0.124	3	120.2054	0.747	5	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	122.1920	0.000	1	122.1920	0.000	1	121.7685	0.359	2	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.3450	0.000	1	121.3450	0.000	1	121.7685	0.359	2	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)2(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(H){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7627	0.284	4	120.7627	0.081	4	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8320	0.000	1	120.8320	0.000	1	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.4435	0.115	2	119.4435	0.013	2	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0930	0.000	1	121.0930	0.000	1	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6010	0.426	2	120.7443	0.064	7	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6670	0.000	1	120.7443	0.064	7	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0310	0.000	1	120.7443	0.064	7	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7140	0.000	1	120.7443	0.064	7	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|P<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7980	0.259	2	120.7443	0.064	7	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	118.3050	2.103	3	119.4624	4.741	5	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.3930	0.000	1	119.4624	4.741	5	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0040	0.000	1	119.4624	4.741	5	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.1900	0.000	1	120.9390	0.083	3	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0020	0.000	1	120.9390	0.083	3	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6250	0.000	1	120.9390	0.083	3	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5380	0.354	3	120.4954	0.071	5	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4315	0.141	2	120.4954	0.071	5	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.3650	0.391	3	121.4798	0.102	5	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.6520	0.066	2	121.4798	0.102	5	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]N[6a])	120.8740	0.000	1	120.8740	0.000	1	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3020	0.000	1	120.3020	0.000	1	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.8583	0.258	3	121.8583	0.067	3	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1730	0.000	1	120.1730	0.000	1	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.7205	0.357	4	120.7880	0.632	18	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.3500	0.000	1	120.7880	0.632	18	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6150	0.727	5	120.7880	0.632	18	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4940	0.337	2	120.7880	0.632	18	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5940	0.000	1	120.7880	0.632	18	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.3965	0.134	2	120.7880	0.632	18	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|O<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8340	0.193	3	120.7880	0.632	18	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|S<2>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.9620	0.000	1	119.9620	0.000	1	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.3667	0.784	3	121.3942	0.413	4	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.4770	0.000	1	121.3942	0.413	4	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	121.1990	0.670	2	121.1990	0.449	2	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	121.2122	0.490	5	122.1304	0.632	17	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	122.4152	0.576	9	122.1304	0.632	17	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	122.8063	0.297	3	122.1304	0.632	17	121.0412	1.132	81	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.1330	0.000	1	121.1330	0.000	1	121.1330	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.7120	0.000	1	120.4788	0.036	5	120.4788	0.036	5	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.4790	0.000	1	120.4788	0.036	5	120.4788	0.036	5	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.5510	0.000	1	120.4788	0.036	5	120.4788	0.036	5	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.3260	0.197	2	120.4788	0.036	5	120.4788	0.036	5	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	118.4790	0.000	1	118.4790	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.4360	0.000	1	119.4360	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.7225	0.309	2	119.7225	0.095	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.2150	0.670	2	120.2150	0.449	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.8790	0.000	1	120.8790	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.9708	0.714	5	119.9708	0.509	5	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]N[6a])	118.3240	0.000	1	118.3240	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	117.0574	0.942	5	117.0574	0.887	5	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|C<4>,1|F<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.1970	0.348	2	119.2977	0.091	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]N[6a])	119.4990	0.000	1	119.2977	0.091	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.9280	0.628	4	118.9280	0.395	4	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	O(C[6a]C[6a]N[6a])	120.1190	1.441	2	120.1190	2.077	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	120.5950	0.000	1	120.5950	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.3570	0.000	1	120.4270	0.010	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.5390	0.000	1	120.4270	0.010	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.3850	0.000	1	120.4270	0.010	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.4815	0.771	2	120.2320	0.328	12	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.6340	0.000	1	120.2320	0.328	12	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.3377	0.422	4	120.2320	0.328	12	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	120.9970	0.000	1	120.2320	0.328	12	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.3737	0.187	3	120.2320	0.328	12	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.7180	0.000	1	120.2320	0.328	12	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.0128	0.102	4	119.2169	0.681	18	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]C[6a]N[6a])	120.1537	0.362	3	119.2169	0.681	18	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.6820	0.000	1	119.2169	0.681	18	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.3710	0.517	10	119.2169	0.681	18	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.6320	0.734	3	119.5588	0.381	4	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){4|C<3>}	O(C[6a]C[6a]N[6a])	119.3390	0.000	1	119.5588	0.381	4	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	O(C[6a]C[6a]N[6a])	119.7660	0.000	1	119.7660	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	119.7380	0.000	1	119.1120	0.245	5	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	119.1513	0.124	3	119.1120	0.245	5	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	O(C[6a]C[6a]N[6a])	118.3680	0.000	1	119.1120	0.245	5	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	118.0755	0.655	4	117.9734	0.373	5	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	117.5650	0.000	1	117.9734	0.373	5	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.8626	0.200	5	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.2260	0.000	1	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	119.8550	0.010	2	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	121.2500	0.000	1	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.2534	0.621	15	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.9419	0.596	110	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.9371	0.437	8	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.4903	1.602	12	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Rh<6>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	119.6620	0.020	2	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	118.9900	0.000	1	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	117.8715	0.155	2	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	116.8003	0.590	4	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Pd<4>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	120.6440	0.000	1	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.7145	0.658	2	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.6110	2.333	2	119.7372	0.811	168	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])	120.0610	0.000	1	120.1607	0.262	6	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])	120.7050	0.000	1	120.1607	0.262	6	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])	120.8820	0.000	1	120.1607	0.262	6	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	119.7720	0.125	3	120.1607	0.262	6	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.7515	0.071	2	119.7515	0.005	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.3880	0.000	1	120.3880	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.0060	0.398	5	119.7052	1.302	10	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]C[6a]N[6a])	121.5390	0.000	1	119.7052	1.302	10	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	117.7970	0.000	1	119.7052	1.302	10	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|N<4>,1|O<1>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.6280	0.000	1	119.7052	1.302	10	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Fe<10>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	118.5290	0.074	2	119.7052	1.302	10	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	121.1980	0.000	1	120.7920	0.330	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.3860	0.000	1	120.7920	0.330	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	O(C[6a]C[6a]N[6a])	121.0480	0.000	1	121.0480	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	O(C[6a]C[6a]N[6a])	121.2690	0.000	1	121.6931	0.252	73	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]C[6a]N[6a])	121.9082	0.379	33	121.6931	0.252	73	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]N[6a])	121.4524	0.489	36	121.6931	0.252	73	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.3567	0.093	3	121.6931	0.252	73	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.0577	0.167	4	120.0577	0.028	4	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.9430	0.207	3	119.3282	0.447	39	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.0461	0.518	23	119.3282	0.447	39	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.0364	0.698	5	119.3282	0.447	39	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	120.1200	0.000	1	119.3282	0.447	39	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.8450	0.000	1	119.3282	0.447	39	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.3850	0.000	1	119.3282	0.447	39	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.1265	0.179	2	119.3282	0.447	39	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.3750	0.306	3	119.3282	0.447	39	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])	119.4025	0.142	2	119.4025	0.020	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	118.8166	0.282	5	119.2182	0.572	55	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	118.7560	0.000	1	119.2182	0.572	55	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.9490	0.000	1	119.2182	0.572	55	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.7777	0.508	4	119.2182	0.572	55	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.4332	0.817	26	119.2182	0.572	55	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.2880	0.152	4	119.2182	0.572	55	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.7406	0.709	13	119.2182	0.572	55	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.0600	0.000	1	119.2182	0.572	55	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	117.5715	0.067	2	117.5715	0.005	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.0980	0.000	1	119.9907	0.009	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.9370	0.000	2	119.9907	0.009	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.1085	1.156	2	120.1085	1.337	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.7002	0.224	4	119.7002	0.050	4	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	117.7960	0.000	1	117.9654	1.838	9	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	116.9720	0.016	2	117.9654	1.838	9	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	116.8145	1.139	2	117.9654	1.838	9	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.1250	0.000	1	117.9654	1.838	9	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.0920	0.000	1	117.9654	1.838	9	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.0515	0.105	2	117.9654	1.838	9	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.6520	0.000	1	118.1401	0.785	31	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.9826	0.319	10	118.1401	0.785	31	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.9533	0.748	3	118.1401	0.785	31	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.3960	0.000	1	118.1401	0.785	31	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.1665	0.132	2	118.1401	0.785	31	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	117.3055	0.423	14	118.1401	0.785	31	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.6310	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	121.1380	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.0044	0.899	31	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.6750	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Co<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.2015	0.717	11	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mg<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.4780	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.9360	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.7793	0.437	3	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<6>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.0390	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.1483	0.397	3	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.7262	1.124	10	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.2563	0.364	3	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.5217	0.732	68	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|W<6>}	O(C[6a]C[6a]N[6a])	121.0300	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.3030	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.5540	0.000	1	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	118.8727	0.878	4	119.7318	0.684	142	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.3210	0.000	1	117.3065	1.596	24	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.3940	0.000	1	117.3065	1.596	24	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.9050	0.000	1	117.3065	1.596	24	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.8650	0.000	1	117.3065	1.596	24	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	116.7936	0.437	20	117.3065	1.596	24	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)2(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.2630	0.000	1	119.2630	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.3510	0.000	1	119.3510	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]C[6a]N[6a])	120.0705	0.633	2	119.9745	0.146	4	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]C[6a]N[6a])	119.8785	0.046	2	119.9745	0.146	4	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.7490	0.000	1	120.7490	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	120.1555	0.101	2	119.9923	0.085	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	O(C[6a]C[6a]N[6a])	119.6660	0.000	1	119.9923	0.085	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	119.2480	0.906	3	118.2700	1.766	8	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])	118.3157	1.154	3	118.2700	1.766	8	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	116.7345	0.684	2	118.2700	1.766	8	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.4918	0.656	6	119.7429	1.043	11	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]N[6a])	121.6730	0.000	1	119.7429	1.043	11	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	118.9525	0.354	2	119.7429	1.043	11	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	121.3530	0.000	1	119.7429	1.043	11	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.2900	0.000	1	119.7429	1.043	11	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.3740	0.771	2	119.3740	0.594	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.6410	0.601	2	120.6410	0.361	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.3680	0.000	1	120.3680	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])	121.3284	0.406	5	121.3284	0.164	5	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|N<2>}	O(C[6a]C[6a]N[6a])	121.1390	0.291	2	121.1390	0.085	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	O(C[6a]C[6a]N[6a])	121.7975	1.061	2	121.7975	1.127	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])	121.2370	0.000	1	121.2370	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])	120.9890	0.472	2	120.9890	0.223	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	121.7150	0.000	1	121.9365	0.098	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<4>}	O(C[6a]C[6a]N[6a])	122.1580	0.000	1	121.9365	0.098	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|N<2>,2|C<4>}	O(C[6a]C[6a]N[6a])	122.8980	0.000	1	122.8980	0.000	1	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])	122.4950	0.328	3	122.4950	0.108	3	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])	123.1370	0.820	2	123.1370	0.673	2	119.7105	1.691	710	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]N[5,6a]N[6a])	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>}	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[5,6a]N[6a])	123.9210	0.000	1	123.9210	0.000	1	123.9210	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]N[5a,6a]N[6a])	125.4305	0.660	2	125.4305	0.435	2	125.4305	0.435	2	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]N[6a])	123.1600	0.000	1	123.1600	0.000	1	123.1422	4.382	6	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]N[6a])	123.1735	0.097	2	123.1735	0.009	2	123.1422	4.382	6	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	O(C[6a]N[5a,6a]N[6a])	121.2080	0.266	2	121.2080	0.071	2	123.1422	4.382	6	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]N[5a,6a]N[6a])	126.9300	0.000	1	126.9300	0.000	1	123.1422	4.382	6	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]N[6,6a]N[6a])	121.2480	0.174	3	121.2480	0.030	3	121.2480	0.030	3	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6,6a]N[6a])	122.8110	0.704	5	122.8110	0.495	5	122.8110	0.495	5	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H)	O(C[6a]N[6a,6a]N[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]N[6a,6a]N[6a])	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H)	O(C[6a]N[6a,6a]N[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	O(C[6a]N[6a,6a]N[6a])	123.8440	0.000	1	123.8440	0.000	1	123.8440	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]2)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,4|C<3>}	O(C[6a]C[6a]N[6a])	118.7550	0.000	1	118.7550	0.000	1	120.7249	1.427	12	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.5600	0.000	1	120.5600	0.000	1	120.7249	1.427	12	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	121.0850	0.000	1	120.9466	0.010	5	120.7249	1.427	12	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.0130	0.000	1	120.9466	0.010	5	120.7249	1.427	12	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.8783	0.042	3	120.9466	0.010	5	120.7249	1.427	12	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|N<2>}	O(C[6a]C[6a]N[6a])	119.3200	0.000	1	119.7170	0.119	3	120.7249	1.427	12	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.9155	0.039	2	119.7170	0.119	3	120.7249	1.427	12	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.7500	0.122	2	122.7500	0.015	2	120.7249	1.427	12	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.8568	0.239	4	120.8568	0.057	4	119.8826	0.802	17	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	O(C[6a]C[6a]N[6a])	121.2330	0.000	1	121.0425	0.073	2	119.8826	0.802	17	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.8520	0.000	1	121.0425	0.073	2	119.8826	0.802	17	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])	119.2824	0.597	8	119.2824	0.356	8	119.8826	0.802	17	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.5060	0.000	2	119.5060	0.000	2	119.8826	0.802	17	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|Ru<5>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.2210	0.000	1	119.2210	0.000	1	119.8826	0.802	17	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(O)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.6270	0.000	1	119.6270	0.000	1	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.1580	0.202	2	120.2432	0.198	5	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.7920	0.000	1	120.2432	0.198	5	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.5540	0.583	2	120.2432	0.198	5	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	116.2210	0.000	1	116.2210	0.000	1	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|Br<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.5690	0.000	1	121.5690	0.000	1	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.9520	0.000	1	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.3880	0.000	1	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.2480	0.000	1	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.8772	0.643	6	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	117.9340	0.047	2	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.1460	0.000	1	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	118.8930	0.151	4	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.3890	0.000	1	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	121.1597	0.552	3	119.8652	1.342	20	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.0880	0.000	1	121.0880	0.000	1	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.0560	0.000	1	120.4048	0.188	29	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.5133	0.306	3	120.4048	0.188	29	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.8500	0.000	1	120.4048	0.188	29	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.4191	0.379	15	120.4048	0.188	29	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.2000	0.000	1	120.4048	0.188	29	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.2970	0.000	1	120.4048	0.188	29	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.5013	0.358	7	120.4048	0.188	29	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.3828	0.768	6	120.3828	0.590	6	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	122.6440	0.000	1	122.4115	0.108	2	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	122.1790	0.000	1	122.4115	0.108	2	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.5240	0.594	4	122.3736	0.520	9	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	122.2532	0.857	5	122.3736	0.520	9	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	122.4480	0.000	1	122.4480	0.000	1	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	123.1620	0.000	1	123.4791	0.299	13	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	123.5055	0.563	12	123.4791	0.299	13	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.4920	0.000	1	122.4920	0.000	1	120.9713	2.401	90	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	124.2267	0.597	3	124.2267	0.356	3	124.2267	0.356	3	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.5960	0.346	3	121.5960	0.120	3	121.5960	0.120	3	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	O(C[6a]N[6a]2)	122.9980	0.523	2	122.9980	0.274	2	122.9980	0.274	2	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	121.4935	0.044	4	121.8472	0.739	6	121.8472	0.739	6	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.5545	1.479	2	121.8472	0.739	6	121.8472	0.739	6	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O){1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	118.9090	0.000	1	118.9090	0.000	1	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	119.7660	0.000	1	119.7660	0.000	1	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]N[6a]2)	123.4290	0.000	1	122.5600	1.510	2	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	O(C[6a]N[6a]2)	121.6910	0.000	1	122.5600	1.510	2	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	119.7173	0.532	3	120.4188	2.157	4	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|C<4>,3|C<3>}	O(C[6a]N[6a]2)	122.5230	0.000	1	120.4188	2.157	4	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,3|C<3>}	O(C[6a]N[6a]2)	122.2495	0.097	2	122.2495	0.009	2	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.8250	0.918	2	122.8250	0.842	2	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	122.1882	0.282	9	122.2682	0.117	12	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.5080	0.462	3	122.2682	0.117	12	121.7849	1.589	24	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|B<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	120.5953	0.516	3	120.5953	0.267	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|B<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	120.8487	0.317	3	120.8487	0.101	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.7107	1.574	3	122.7066	0.755	8	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.7042	0.288	5	122.7066	0.755	8	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	120.2280	0.000	1	121.5373	1.548	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	122.1920	0.724	2	121.5373	1.548	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	121.6483	0.391	3	121.6483	0.153	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	120.9966	0.544	14	120.9966	0.296	14	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	118.7600	0.000	1	119.9897	1.136	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	120.6045	0.054	2	119.9897	1.136	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]N[6a]2)	121.0740	0.902	2	121.0740	0.814	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.4183	0.135	6	122.4183	0.018	6	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	122.0180	0.000	1	121.6636	0.278	5	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.5450	0.000	1	121.6636	0.278	5	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	122.3830	0.000	1	121.6636	0.278	5	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.1860	0.000	2	121.6636	0.278	5	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.8440	1.679	2	121.6953	1.444	6	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]N[6a]2)	121.6210	1.202	4	121.6953	1.444	6	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	121.0120	0.765	5	121.0663	0.233	13	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.1500	0.274	4	121.0663	0.233	13	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.0505	0.244	4	121.0663	0.233	13	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	120.6670	0.000	1	119.9950	0.903	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	119.3230	0.000	1	119.9950	0.903	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]N[6a]2)	121.7180	0.506	9	121.7028	0.319	14	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	121.7830	0.837	3	121.7028	0.319	14	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	121.5140	0.781	2	121.7028	0.319	14	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,4|C<3>}	O(C[6a]N[6a]2)	122.1610	0.000	1	122.1610	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){3|C<3>}	O(C[6a]N[6a]2)	123.0250	0.000	1	123.0250	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	121.5470	0.634	2	121.5470	0.401	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.9520	0.000	1	121.9520	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.3350	0.000	1	123.1617	1.830	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	124.6030	0.000	1	123.1617	1.830	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Cl<1>,2|C<3>}	O(C[6a]N[6a]2)	123.3500	0.000	1	123.1617	1.830	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]N[6a]2)	123.3590	0.000	1	123.1617	1.830	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	120.5880	0.000	1	120.5947	0.027	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	120.4350	0.000	1	120.5947	0.027	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	120.7610	0.000	1	120.5947	0.027	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.3810	0.000	1	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.8308	0.195	5	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]N[6a]2)	121.9535	0.733	23	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.2875	0.455	23	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.2806	0.753	43	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	122.6448	0.518	10	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	O(C[6a]N[6a]2)	121.2627	0.299	3	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.3150	0.000	1	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.3440	0.000	1	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	122.4570	0.147	2	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.5700	0.000	1	122.1816	0.465	113	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.2570	0.269	2	121.2570	0.072	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.0430	0.000	1	122.0430	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	121.5200	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	122.8150	0.528	2	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]N[6a]2)	121.7609	0.242	8	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.3841	0.448	34	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	O(C[6a]N[6a]2)	123.1215	1.223	2	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.3713	0.492	50	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	122.7270	0.578	9	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]N[6a]2)	122.2220	0.000	2	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.6710	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.7340	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.4820	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.0787	0.182	3	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.0083	0.129	3	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.5430	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	123.2835	0.114	2	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.5340	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.1990	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.2140	0.175	2	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.2680	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.6310	0.000	1	122.3366	0.307	126	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.6110	0.000	1	122.2048	0.198	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.3070	0.188	2	122.2048	0.198	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.5940	0.000	1	122.2048	0.198	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Cd)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Cd)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.7250	0.000	1	119.7250	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Co<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.2705	0.565	11	119.2705	0.319	11	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Cu<4>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.6045	0.416	2	119.5247	0.106	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){2|Cu<2>,1|C<3>}	O(C[6a]N[6a]2)	119.3650	0.000	1	119.5247	0.106	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Fe)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Fe)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.0650	0.065	2	118.0650	0.004	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a]W)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a]W)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|W<6>}	O(C[6a]N[6a]2)	119.2470	0.000	1	119.2470	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	123.2010	0.000	1	122.7165	0.469	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|N<2>,2|C<4>}	O(C[6a]N[6a]2)	122.2320	0.000	1	122.7165	0.469	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.7916	1.081	10	123.1645	0.847	39	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	123.2930	0.841	29	123.1645	0.847	39	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]N[6a]2)	124.5140	0.000	2	124.5140	0.000	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.6060	0.000	1	121.9802	0.294	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.7717	0.424	3	121.9802	0.294	4	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	121.8520	0.000	1	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.6326	0.634	16	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)	123.0285	0.474	36	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]N[6a]2)	123.1965	0.268	2	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	121.9597	0.858	6	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]N[6a]2)	123.8680	0.000	1	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]N[6a]2)	122.9860	0.000	1	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.6650	0.000	1	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.2906	2.316	12	122.7389	1.180	76	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	120.8760	0.987	2	120.8760	0.974	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.8340	0.000	1	122.8340	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	121.9750	0.000	1	122.0510	0.012	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.1270	0.000	1	122.0510	0.012	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.6336	0.985	10	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	123.1890	0.000	1	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.9494	0.523	16	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)	121.6041	0.536	36	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	O(C[6a]N[6a]2)	122.2885	0.018	2	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	123.3105	0.220	6	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]N[6a]2)	121.1950	0.000	1	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]N[6a]2)	121.1110	0.000	1	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.3720	0.000	1	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	123.4418	1.212	12	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	123.0565	0.392	4	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.6815	0.996	4	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	122.1172	1.411	4	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.7665	0.628	8	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.4645	0.457	2	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	121.2750	0.000	1	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	123.0700	0.000	1	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.7403	0.337	3	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.7960	0.786	31	122.1223	0.908	144	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.7060	0.916	2	123.1080	0.905	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<4>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	123.9120	0.000	1	123.1080	0.905	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	124.1310	0.000	1	122.6070	0.416	65	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	123.0470	1.332	2	122.6070	0.416	65	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.3070	0.293	2	122.6070	0.416	65	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.4640	0.561	45	122.6070	0.416	65	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Cu<4>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	122.6050	1.451	2	122.6070	0.416	65	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	123.0275	1.001	2	122.6070	0.416	65	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.1050	0.229	2	122.6070	0.416	65	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Ni<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	123.1401	0.250	9	122.6070	0.416	65	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Mg)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Mg)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mg<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.7300	0.000	1	118.7300	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Mn)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Mn)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.0680	0.000	1	118.0680	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	118.5577	0.286	3	118.5577	0.082	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Ni<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	117.5896	0.248	9	117.5896	0.061	9	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Pd)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Pd)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Pd<4>,1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	118.2230	0.000	1	118.2230	0.000	1	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Rh)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Rh)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Rh<6>,1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	117.2265	0.207	2	117.2265	0.043	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.7880	0.000	1	119.5480	0.115	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<6>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	119.3080	0.000	1	119.5480	0.115	2	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]N[6a]2)	122.7667	0.646	3	122.7667	0.417	3	122.0813	1.530	723	120.9392	2.717	1918	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.9310	0.000	1	121.9310	0.000	1	122.6551	0.320	9	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	122.9535	0.103	2	122.7973	0.373	4	122.6551	0.320	9	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.3520	0.000	1	122.7973	0.373	4	122.6551	0.320	9	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|S<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.9300	0.000	1	122.7973	0.373	4	122.6551	0.320	9	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.0215	0.631	2	122.6940	0.276	4	122.6551	0.320	9	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	122.3690	0.000	1	122.6940	0.276	4	122.6551	0.320	9	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	122.3640	0.000	1	122.6940	0.276	4	122.6551	0.320	9	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]O)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5950	0.000	1	121.4804	0.469	5	121.4804	0.469	5	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.7018	0.546	4	121.4804	0.469	5	121.4804	0.469	5	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.8660	0.000	1	121.8660	0.000	1	121.8513	0.026	3	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.8440	0.229	2	121.8440	0.052	2	121.8513	0.026	3	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0180	0.000	1	121.0180	0.000	1	120.5942	0.441	5	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5600	0.860	3	120.5600	0.739	3	120.5942	0.441	5	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|Br<1>,1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2730	0.000	1	120.2730	0.000	1	120.5942	0.441	5	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)2(ORh)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(ORh){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9597	1.814	4	120.9597	3.290	4	120.9254	1.097	14	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.3500	0.000	1	121.1937	0.033	4	120.9254	1.097	14	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.1417	0.182	3	121.1937	0.033	4	120.9254	1.097	14	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.4230	0.000	1	121.1683	0.406	4	120.9254	1.097	14	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|P<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2230	0.000	1	121.1683	0.406	4	120.9254	1.097	14	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.6170	0.000	1	121.1683	0.406	4	120.9254	1.097	14	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.4100	0.000	1	121.1683	0.406	4	120.9254	1.097	14	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	119.8340	0.395	2	119.8340	0.156	2	120.9254	1.097	14	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])	120.2093	0.290	3	120.2093	0.084	3	120.2477	0.062	4	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC){1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.3630	0.000	1	120.3630	0.000	1	120.2477	0.062	4	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.5607	0.141	4	120.5607	0.020	4	119.0629	1.827	21	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.0990	0.386	2	120.0990	0.149	2	119.0629	1.827	21	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])	118.3686	0.333	12	118.3686	0.111	12	119.0629	1.827	21	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	118.3460	3.779	2	118.3460	14.279	2	119.0629	1.827	21	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5])	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5]){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.7640	0.000	1	120.7640	0.000	1	119.0629	1.827	21	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	124.4060	0.000	1	124.4060	0.000	1	124.4060	0.000	1	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O){1|Cl<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	121.9920	0.000	1	121.9920	0.000	1	121.1210	0.585	4	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.4785	0.018	2	120.8307	0.372	3	121.1210	0.585	4	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	121.5350	0.000	1	120.8307	0.372	3	121.1210	0.585	4	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](N[6a]C[6a]O)2(O)	N[6a](C[6a]N[6a]O)2(OC)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(OC){1|C<3>,2|O<2>}	O(C[6a]N[6a]2)	123.9797	0.159	6	123.9797	0.025	6	123.8119	0.223	12	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:2:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](N[6a]C[6a]O)2(O)	N[6a](C[6a]N[6a]O)2(OH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(OH){1|C<3>,2|O<2>}	O(C[6a]N[6a]2)	123.6442	0.630	6	123.6442	0.397	6	123.8119	0.223	12	121.1307	3.548	79	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	117.2440	0.000	1	117.2440	0.000	1	119.6590	2.683	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	120.3200	0.000	1	120.3200	0.000	1	119.6590	2.683	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	120.1890	0.000	1	120.1890	0.000	1	119.6590	2.683	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	120.8830	0.000	1	120.8830	0.000	1	119.6590	2.683	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.4733	0.407	3	121.3852	0.141	4	121.4057	0.228	6	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.1210	0.000	1	121.3852	0.141	4	121.4057	0.228	6	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.4465	0.842	2	121.4465	0.709	2	121.4057	0.228	6	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH){3|C<3>}	O(C[6a]C[5a,6a]N[6a])	122.4860	0.000	1	122.4860	0.000	1	122.4860	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.9870	0.000	1	119.9870	0.000	1	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.6100	0.000	1	119.6100	0.000	1	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.5984	0.544	5	119.5984	0.296	5	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.5710	0.153	2	119.5710	0.023	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.5590	0.000	1	119.5590	0.000	1	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,2|C<4>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.4640	0.000	1	119.4640	0.000	1	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.5947	0.069	3	119.2237	0.553	4	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	118.1110	0.000	1	119.2237	0.553	4	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,2|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.0630	0.000	1	119.4955	0.374	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.9280	0.000	1	119.4955	0.374	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.5720	0.000	1	120.0945	0.546	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.6170	0.000	1	120.0945	0.546	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.3310	0.000	1	120.2217	0.112	3	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<3>,2|N<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.4880	0.000	1	120.2217	0.112	3	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){2|C<3>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.8460	0.000	1	120.2217	0.112	3	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.5540	0.000	1	120.4782	0.079	5	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,5|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.4592	0.321	4	120.4782	0.079	5	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|C<4>,6|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.8125	0.076	2	120.8125	0.006	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.5210	0.842	4	121.5210	0.709	4	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.6485	0.204	2	121.6485	0.042	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.6885	0.054	2	121.6885	0.003	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.9690	0.103	2	120.9690	0.011	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.6500	0.704	2	120.6500	0.496	2	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.2957	0.334	3	121.2957	0.112	3	120.3726	0.852	44	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.3030	0.000	1	119.3030	0.000	1	119.9642	0.250	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.1420	0.000	1	120.1420	0.000	1	119.9642	0.250	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|S<2>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.9190	0.000	1	119.9190	0.000	1	119.9642	0.250	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O){2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	120.4930	0.000	1	120.4930	0.000	1	119.9642	0.250	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]N[6a])	118.5200	0.000	1	118.5200	0.000	1	119.9343	0.721	9	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	O(C[6a]C[6,6a]N[6a])	119.1360	0.000	1	119.1360	0.000	1	119.9343	0.721	9	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6,6a]N[6a])	118.9180	0.000	1	118.9180	0.000	1	119.9343	0.721	9	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	O(C[6a]C[6,6a]N[6a])	120.5997	0.302	3	120.4725	0.072	6	119.9343	0.721	9	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[6,6a]N[6a])	120.2120	0.000	1	120.4725	0.072	6	119.9343	0.721	9	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6,6a]N[6a])	120.4120	0.235	2	120.4725	0.072	6	119.9343	0.721	9	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C[6a])(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5060	0.286	2	120.5135	0.050	4	120.5135	0.050	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|H<1>,1|I<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3360	0.000	1	120.5135	0.050	4	120.5135	0.050	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7060	0.000	1	120.5135	0.050	4	120.5135	0.050	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]C[6a])(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.8480	0.000	1	120.5368	0.313	9	120.5666	0.278	12	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6229	0.530	8	120.5368	0.313	9	120.5666	0.278	12	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2200	0.000	1	120.6560	0.262	3	120.5666	0.278	12	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8740	0.488	2	120.6560	0.262	3	120.5666	0.278	12	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.4300	0.228	2	119.4300	0.052	2	119.5073	0.044	3	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.6620	0.000	1	119.6620	0.000	1	119.5073	0.044	3	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(COO)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(COO){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.4245	0.124	2	119.4245	0.015	2	119.4245	0.015	2	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3852	0.169	24	120.2989	0.103	34	120.2989	0.103	34	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.0915	0.489	10	120.2989	0.103	34	120.2989	0.103	34	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.0245	0.132	2	120.6334	0.251	65	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5632	0.343	8	120.6334	0.251	65	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7265	0.428	11	120.6334	0.251	65	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7233	0.167	4	120.6334	0.251	65	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3474	0.520	11	120.6334	0.251	65	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3260	0.505	2	120.6334	0.251	65	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8347	0.494	26	120.6334	0.251	65	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|O<1>,1|P<4>,5|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.5540	0.000	1	120.6334	0.251	65	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6645	0.320	2	120.5298	0.060	4	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3950	0.058	2	120.5298	0.060	4	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2420	0.000	1	120.2420	0.000	1	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6430	0.000	1	120.5187	0.026	3	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4565	0.169	2	120.5187	0.026	3	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<2>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5450	0.000	1	120.6120	0.007	3	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7050	0.000	1	120.6120	0.007	3	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5860	0.000	1	120.6120	0.007	3	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|Si<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0770	0.000	1	121.0770	0.000	1	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5120	0.000	1	120.5120	0.000	1	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|F<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.5590	0.000	1	120.5717	0.355	14	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0337	0.263	4	120.5717	0.355	14	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5463	0.173	3	120.5717	0.355	14	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8240	0.462	4	120.5717	0.355	14	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.6875	0.074	2	120.5717	0.355	14	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0070	0.376	5	121.0070	0.141	5	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	118.0280	0.000	1	119.6920	0.924	5	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|Br<1>,1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3200	0.000	1	119.6920	0.924	5	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.9265	0.320	2	119.6920	0.924	5	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2590	0.000	1	119.6920	0.924	5	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.1440	0.000	1	120.0268	3.359	9	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|O<2>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	118.1677	0.479	3	120.0268	3.359	9	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	122.7385	0.398	2	120.0268	3.359	9	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4235	0.153	2	120.0268	3.359	9	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2700	0.000	1	120.0268	3.359	9	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6650	0.000	1	120.3390	0.063	4	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1660	0.154	2	120.3390	0.063	4	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3590	0.000	1	120.3390	0.063	4	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2400	0.000	1	120.2400	0.000	1	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7220	0.000	1	120.7220	0.000	1	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8520	0.000	1	120.5735	0.155	2	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2950	0.000	1	120.5735	0.155	2	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1800	0.000	1	120.1800	0.000	1	120.5325	0.511	120	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)2(NCH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(NCH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4102	0.520	4	120.4102	0.270	4	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.6880	0.000	1	119.8865	0.079	2	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.0850	0.000	1	119.8865	0.079	2	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1180	0.000	1	120.4150	0.176	2	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7120	0.000	1	120.4150	0.176	2	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.0200	0.000	1	119.6585	0.261	2	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|Cl<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.2970	0.000	1	119.6585	0.261	2	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.8316	0.454	5	119.8316	0.206	5	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.1027	0.625	3	121.1027	0.390	3	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6317	0.326	3	120.6317	0.106	3	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4863	0.384	3	120.4863	0.147	3	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.8640	0.000	1	119.8640	0.000	1	120.2898	0.347	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7880	0.000	1	120.7880	0.000	1	121.2890	0.539	5	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.4255	0.964	2	121.4142	0.614	4	121.2890	0.539	5	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|H<1>,2|C<3>,3|C<4>}	O(C[6a]C[6a,6a]N[6a])	120.7280	0.000	1	121.4142	0.614	4	121.2890	0.539	5	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])	122.0780	0.000	1	121.4142	0.614	4	121.2890	0.539	5	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2620	0.000	2	120.2620	0.000	2	120.2620	0.000	2	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9255	0.039	4	120.9255	0.001	4	120.9255	0.001	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[5a])(O)	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[5a])(O){1|H<1>,6|C<3>}	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5400	0.202	2	120.5400	0.041	2	120.5400	0.041	2	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.1390	0.000	1	120.1390	0.000	1	120.2595	0.029	2	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.3800	0.000	1	120.3800	0.000	1	120.2595	0.029	2	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.6740	0.000	1	118.4264	0.948	5	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	118.3645	1.113	4	118.4264	0.948	5	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.6490	0.000	1	120.6490	0.000	1	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]C[6a]N[6a])	121.4550	0.000	1	121.4550	0.000	1	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	117.8890	0.000	1	117.8890	0.000	1	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.5540	0.000	1	119.5540	0.000	1	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.8300	0.000	1	119.8300	0.000	1	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.2758	0.715	4	119.2758	0.511	4	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.9260	0.694	4	118.9260	0.482	4	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])	121.7360	0.000	1	121.7360	0.000	1	119.2659	1.437	19	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.6355	0.122	2	119.6355	0.015	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	119.2550	0.000	1	119.2550	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]2)(O){1|N<3>,4|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.0490	0.000	1	119.0490	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)(O){7|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	116.3235	0.927	2	116.3235	0.859	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){2|C<4>,5|C<3>}	O(C[6a]C[6a]N[6a])	115.6380	0.452	7	115.6380	0.204	7	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	118.9590	0.000	1	119.4210	0.427	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	119.8830	0.000	1	119.4210	0.427	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|S<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	117.0580	0.000	1	118.2975	3.073	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.5370	0.000	1	118.2975	3.073	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|C<4>,4|C<3>}	O(C[6a]C[6a]N[6a])	116.4290	0.379	4	116.4290	0.144	4	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	119.3750	0.000	1	119.3750	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.5810	0.000	1	120.5810	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.4770	0.000	1	119.4770	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	O(C[6a]C[6a]N[6a])	115.7057	1.156	6	115.7057	1.336	6	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|Ni<7>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	O(C[6a]C[6a]N[6a])	116.9560	0.407	2	116.9560	0.166	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.5700	0.000	1	121.5700	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]N[6a])	118.6080	0.000	1	118.6080	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	119.7350	0.000	1	119.8912	0.127	16	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	119.8718	0.377	13	119.8912	0.127	16	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.8810	0.000	1	119.8912	0.127	16	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	O(C[6a]C[6a]N[6a])	120.3100	0.000	1	119.8912	0.127	16	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	120.8840	0.000	1	120.8840	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){4|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	120.0550	0.000	1	120.0550	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	118.9490	0.185	2	118.9490	0.034	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	119.8210	0.516	2	119.8210	0.266	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	120.1090	0.000	1	120.1735	0.008	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.2380	0.000	1	120.1735	0.008	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S){3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	118.9210	0.000	1	118.9210	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|Se<2>,1|C<4>,1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.9735	1.231	2	120.9735	1.516	2	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	123.0160	0.000	1	123.0160	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	121.3710	0.000	1	121.3710	0.000	1	118.5863	4.227	63	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]N)(O){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){5|C<3>}	O(C[6a]C[6a]N[6a])	117.6600	0.000	1	117.6600	0.000	1	120.1671	1.693	11	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	119.2720	0.000	1	119.2720	0.000	1	120.1671	1.693	11	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	120.2770	0.000	1	120.2770	0.000	1	120.1671	1.693	11	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS){1|C<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.4690	0.000	1	119.4690	0.000	1	120.1671	1.693	11	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])	119.4500	0.000	1	119.4500	0.000	1	120.1671	1.693	11	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.0490	0.000	1	120.0490	0.000	1	120.1671	1.693	11	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH){1|C<4>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.9270	0.000	1	120.9270	0.000	1	120.1671	1.693	11	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	121.1835	1.170	4	121.1835	1.370	4	120.1671	1.693	11	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){7|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	O(C[6a]N[5a,6a]N[6a])	122.7810	0.000	1	122.7810	0.000	1	122.7810	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[5a,6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O){1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.3330	0.000	1	121.3330	0.000	1	121.3330	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|O<1>,2|N<3>,4|C<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	118.8577	0.309	4	118.8577	0.095	4	118.8577	0.095	4	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(O)	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cd<6>,3|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	O(C[6a]C[6a]N[6a])	120.3070	0.000	1	120.3070	0.000	1	121.0113	1.933	10	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	O(C[6a]C[6a]N[6a])	120.4090	0.000	1	120.4090	0.000	1	121.0113	1.933	10	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	119.9625	0.286	2	119.9625	0.082	2	121.0113	1.933	10	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	120.4820	0.000	1	120.1920	0.176	3	121.0113	1.933	10	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	120.0470	0.475	2	120.1920	0.176	3	121.0113	1.933	10	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	122.9200	0.649	2	122.9200	0.421	2	121.0113	1.933	10	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,4|C<3>,4|H<1>}	O(C[6a]C[6a]N[6a])	123.0560	0.000	1	123.0560	0.000	1	121.0113	1.933	10	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.1770	0.000	1	120.1770	0.000	1	120.1770	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH){4|C<3>}	O(C[6a]N[6a]2)	119.9090	0.000	1	119.9090	0.000	1	119.9090	0.000	1	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH){3|C<3>}	O(C[6a]N[6a]2)	123.1520	0.000	1	123.1520	0.000	1	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.7438	0.314	4	122.7438	0.099	4	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)	124.2740	0.228	3	124.2740	0.052	3	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)	121.2710	0.000	1	121.2710	0.000	1	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	120.9170	0.000	1	121.1355	0.095	2	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	121.3540	0.000	1	121.1355	0.095	2	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.0965	0.387	2	121.0965	0.150	2	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CCH){3|C<3>}	O(C[6a]N[6a]2)	122.6118	1.501	6	122.6118	2.254	6	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.4560	0.000	1	121.4045	2.211	2	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	120.3530	0.000	1	121.4045	2.211	2	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.0860	0.064	2	122.1873	0.033	3	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.3900	0.000	1	122.1873	0.033	3	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]N[6a]2)	120.6870	0.000	1	120.6870	0.000	1	122.3365	1.619	25	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]N[6a]2)	120.9150	0.000	1	120.9150	0.000	1	122.3253	0.268	51	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	O(C[6a]N[6a]2)	121.6060	0.000	1	121.6060	0.000	1	122.3253	0.268	51	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	120.9010	0.000	1	120.9010	0.000	1	122.3253	0.268	51	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]N[6a]2)	121.5840	0.000	1	121.5840	0.000	1	122.3253	0.268	51	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|H<1>,4|C<3>}	O(C[6a]N[6a]2)	123.5720	0.000	1	123.5720	0.000	1	122.3253	0.268	51	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]N[6a]2)	121.9900	0.000	1	121.9900	0.000	1	122.3253	0.268	51	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{3|C<3>,4|H<1>}	O(C[6a]N[6a]2)	122.9065	0.670	2	122.9065	0.448	2	122.3253	0.268	51	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)2(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)2(O){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	O(C[6a]N[6a]2)	122.3770	0.359	43	122.3770	0.129	43	122.3253	0.268	51	120.4334	2.341	475	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[5,6a]N[6a])	121.4710	0.000	1	121.4710	0.000	1	121.4710	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]N[6a])	120.9980	0.000	1	120.9980	0.000	1	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]N[6a])	121.4790	0.000	1	120.8887	0.632	3	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[5,6a]N[6a])	121.2020	0.000	1	120.8887	0.632	3	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[5,6a]N[6a])	119.9850	0.000	1	120.8887	0.632	3	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	122.7860	0.000	2	122.7860	0.000	2	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	121.8058	0.508	9	120.9404	1.728	37	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	122.0264	0.354	7	120.9404	1.728	37	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[5,6a]N[6a])	118.0515	0.049	2	120.9404	1.728	37	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[5,6a]N[6a])	120.5772	1.002	14	120.9404	1.728	37	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ni<6>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	119.9860	0.308	3	120.9404	1.728	37	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	122.1720	0.000	1	120.9404	1.728	37	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ru<6>,1|C<3>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5,6a]N[6a])	118.0450	0.000	1	120.9404	1.728	37	121.0240	1.667	43	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.6800	0.730	2	120.6800	0.533	2	121.9063	0.769	10	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.6510	0.010	2	121.6510	0.000	2	121.9063	0.769	10	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.9680	0.000	1	121.9680	0.000	1	121.9063	0.769	10	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	122.3715	0.482	2	122.3715	0.232	2	121.9063	0.769	10	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	123.0410	0.000	1	123.0410	0.000	1	121.9063	0.769	10	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	122.3245	0.972	2	122.3245	0.945	2	121.9063	0.769	10	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.5240	0.000	1	119.5240	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	119.3600	0.000	1	119.3600	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.4980	0.778	3	119.4980	0.606	3	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.9150	0.527	6	119.9150	0.278	6	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.1875	0.639	2	120.1875	0.408	2	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.1780	0.000	1	120.1780	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.6520	0.000	1	119.6520	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.6960	0.000	1	121.6960	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.5910	0.000	1	120.5910	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.1405	0.431	2	120.2939	1.197	9	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.9320	0.000	1	120.2939	1.197	9	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.9053	1.153	6	120.2939	1.197	9	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.8033	0.120	3	119.8033	0.014	3	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.1230	0.503	2	120.1230	0.253	2	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.8250	0.441	3	119.9449	0.132	8	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	120.1243	0.280	4	119.9449	0.132	8	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.5870	0.000	1	119.9449	0.132	8	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	121.0457	0.305	4	121.0457	0.093	4	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	121.7159	0.687	8	121.5489	0.446	11	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	121.1735	0.552	2	121.5489	0.446	11	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	120.9640	0.000	1	121.5489	0.446	11	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	121.3903	0.606	117	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	121.5750	0.000	1	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	121.0043	0.625	70	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Co<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	118.6350	0.000	1	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Mg<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	118.9510	0.000	1	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	121.0070	0.424	4	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])	120.7200	0.000	1	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Pt<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	120.4970	0.587	2	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	121.4210	0.000	1	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	119.4565	0.033	2	121.1910	0.485	200	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])	122.4210	0.000	1	122.4210	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	O(C[6a]C[5a,6a]N[6a])	121.9190	0.000	1	121.9190	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	O(C[6a]C[5a,6a]N[6a])	121.7900	0.000	1	121.7900	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.6700	0.051	2	121.6700	0.003	2	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[5a,6a]N[6a])	121.6410	0.000	1	121.6410	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	O(C[6a]C[5a,6a]N[6a])	121.7160	0.000	1	121.7160	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.3380	0.000	1	121.3380	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	120.8570	0.000	1	120.8570	0.000	1	121.0481	0.660	263	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	121.1290	0.000	1	121.1290	0.000	1	120.2230	1.642	2	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO){2|C<3>}	O(C[6a]C[5a,6a]N[6a])	119.3170	0.000	1	119.3170	0.000	1	120.2230	1.642	2	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O){2|C<3>,2|C<4>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]N[6a])	119.3900	0.072	2	119.3900	0.005	2	119.9557	0.369	16	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(O){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	O(C[6a]C[6,6a]N[6a])	119.2910	0.000	1	119.2910	0.000	1	119.9557	0.369	16	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]N[6a])	120.1775	0.260	4	120.1775	0.067	4	119.9557	0.369	16	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]N[6a])	119.7258	0.589	6	119.7258	0.347	6	119.9557	0.369	16	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]N[6a])	120.3080	0.000	1	120.3080	0.000	1	119.9557	0.369	16	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6,6a]N[6a])	120.8710	0.000	1	120.9235	0.006	2	119.9557	0.369	16	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6,6a]N[6a])	120.9760	0.000	1	120.9235	0.006	2	119.9557	0.369	16	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O){2|S<1>,3|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]N[6a])	118.9110	0.000	1	118.9110	0.000	1	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	119.5726	0.609	5	119.5726	0.371	5	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	119.6483	0.540	6	119.6483	0.292	6	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]N[6a])	120.4420	0.000	1	120.4420	0.000	1	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	119.8470	0.000	1	119.8470	0.000	1	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	120.4725	0.340	2	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	120.0130	0.000	1	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	118.2160	0.000	1	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	120.0572	0.054	4	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,2|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6,6a]N[6a])	118.5780	0.000	1	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	119.3860	0.000	1	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	119.3800	0.000	1	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	119.7950	0.000	1	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	120.2980	0.249	5	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6,6a]N[6a])	120.0150	0.000	1	119.8915	0.416	18	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6,6a]N[6a])	119.4110	0.000	1	119.4110	0.000	1	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	O(C[6a]C[6,6a]N[6a])	120.1055	0.265	2	120.7170	1.157	3	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|Re<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6,6a]N[6a])	121.9400	0.000	1	120.7170	1.157	3	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	O(C[6a]C[6,6a]N[6a])	121.3670	0.000	1	121.3670	0.000	1	119.8900	0.525	37	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H)	O(C[6a]C[6,6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	O(C[6a]C[6,6a]N[6a])	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.2420	0.000	1	119.2420	0.000	1	119.5263	0.299	6	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.3130	0.635	2	119.3130	0.403	2	119.5263	0.299	6	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.7633	0.613	3	119.7633	0.376	3	119.5263	0.299	6	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|N<3>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	118.8050	0.000	1	118.8050	0.000	1	119.5742	1.222	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.3835	1.206	2	119.3835	1.454	2	119.5742	1.222	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.1230	0.000	1	119.1230	0.000	1	119.5742	1.222	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.1760	0.000	1	121.1760	0.000	1	119.5742	1.222	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]C)(O){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2280	0.000	1	120.2280	0.000	1	120.5108	0.570	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3423	0.865	3	120.3423	0.747	3	120.5108	0.570	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.2990	0.000	1	121.2990	0.000	1	120.5108	0.570	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7073	0.304	3	120.7073	0.093	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.8937	0.158	4	119.8937	0.025	4	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9261	0.635	30	120.9432	0.382	32	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.2000	0.048	2	120.9432	0.382	32	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Br<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.3993	0.206	3	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5685	1.596	2	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4230	0.000	1	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.0465	0.400	2	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0240	0.000	1	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6882	0.611	122	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.7130	0.000	1	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3470	0.000	1	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9320	0.000	1	120.6405	0.412	134	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2875	0.729	2	120.2875	0.531	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4617	0.581	4	119.8593	0.582	8	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.2567	0.230	4	119.8593	0.582	8	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5012	0.438	13	120.5341	0.193	14	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9620	0.000	1	120.5341	0.193	14	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CH3){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0175	0.050	2	121.0175	0.003	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.9125	0.465	2	119.8165	0.087	4	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.7205	0.091	2	119.8165	0.087	4	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	118.7055	0.452	2	118.7055	0.204	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9925	0.145	2	120.9925	0.021	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5700	0.000	1	120.6042	0.203	5	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9790	0.205	2	120.6042	0.203	5	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2465	0.483	2	120.6042	0.203	5	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3240	0.000	1	120.5510	0.103	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){3|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7780	0.000	1	120.5510	0.103	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3430	0.000	1	120.3430	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.4400	0.000	1	120.0493	0.334	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5900	0.000	1	120.0493	0.334	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1180	0.000	1	120.0493	0.334	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6630	0.000	1	120.6630	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.1720	0.000	1	121.1720	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1270	0.000	1	120.1270	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2930	0.000	1	120.2930	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.4600	0.185	2	119.6903	0.176	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.1510	0.000	1	119.6903	0.176	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.7280	0.000	2	121.1672	0.672	5	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7933	0.906	3	121.1672	0.672	5	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8260	0.000	1	120.8260	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.8695	0.322	2	120.8695	0.104	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4900	0.000	1	120.4900	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.1870	0.366	2	121.1870	0.134	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.4543	0.089	3	120.4543	0.008	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3395	0.363	2	120.3395	0.132	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.8162	0.573	5	119.8162	0.329	5	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3730	0.000	1	120.3730	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	122.0597	0.630	3	122.0597	0.397	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6760	0.318	2	120.6760	0.101	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7034	0.574	7	120.4465	0.752	19	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.3427	0.280	3	120.4465	0.752	19	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6415	0.534	2	120.4465	0.752	19	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.7090	0.000	1	120.4465	0.752	19	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.9190	0.000	1	120.4465	0.752	19	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.5240	0.945	5	120.4465	0.752	19	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6430	0.000	1	120.6430	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.3487	0.430	3	120.3487	0.185	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	118.8980	0.000	1	120.4469	0.693	7	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.6628	0.571	5	120.4469	0.693	7	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9160	0.000	1	120.4469	0.693	7	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5280	0.478	2	120.5280	0.228	2	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.0300	0.000	1	121.0300	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,3|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	121.5140	0.000	1	121.5140	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	120.9630	0.000	1	120.9630	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	122.3383	0.449	3	122.3383	0.202	3	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	123.0990	0.000	1	123.0990	0.000	1	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	121.5876	0.636	8	121.7379	0.487	10	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	122.3390	0.805	2	121.7379	0.487	10	120.6542	0.571	301	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O)	N[6a](C[6a]C[6a,6a]O)2(C[4]C[4]2H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[6a])	121.0460	0.217	4	121.0460	0.047	4	121.0460	0.047	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)2(C[5]C[5]2H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[6a])	120.8155	0.698	2	120.8155	0.487	2	120.2095	0.665	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])	119.6035	0.197	2	119.6035	0.039	2	120.2095	0.665	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2C)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[6a])	121.3775	0.989	2	121.3775	0.979	2	120.8451	1.475	33	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]N[6a])	120.5722	1.502	19	120.8004	1.611	29	120.8451	1.475	33	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[6a])	121.2340	0.427	10	120.8004	1.611	29	120.8451	1.475	33	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[6a])	120.9610	0.675	2	120.9610	0.455	2	120.8451	1.475	33	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.7555	0.170	2	119.7555	0.029	2	119.9127	0.089	3	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2270	0.000	1	120.2270	0.000	1	119.9127	0.089	3	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP){1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.5270	0.000	1	120.5270	0.000	1	120.5270	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6,6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.9410	0.000	1	120.6395	3.388	2	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.3380	0.000	1	120.6395	3.388	2	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.2960	0.000	1	120.2960	0.000	1	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.3870	0.000	1	119.3870	0.000	1	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	121.0360	0.000	1	121.0360	0.000	1	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.9597	0.694	7	120.9597	0.481	7	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.4270	0.255	2	120.4270	0.065	2	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.7753	0.533	3	120.7753	0.285	3	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.9846	0.347	5	120.9846	0.120	5	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.1883	0.148	3	122.1883	0.022	3	120.9354	0.656	25	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.9085	0.115	2	118.9085	0.013	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	117.0690	0.000	1	117.0690	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	118.9135	0.368	2	118.9135	0.136	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.2140	0.000	1	119.2140	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.7730	0.000	1	118.7730	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|S<2>}	O(C[6a]C[6a]N[6a])	119.3160	0.000	1	119.3160	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	117.9040	0.000	1	117.9040	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.3540	0.000	1	120.3540	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	118.4500	0.000	1	118.4500	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.6860	0.000	1	118.6860	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.2333	0.158	3	119.2333	0.025	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.4250	0.000	1	118.4250	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.4480	0.000	1	118.4480	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.2560	0.000	1	120.2560	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	120.2040	0.000	1	120.2040	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.7105	0.397	4	120.3550	0.412	6	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.6440	0.264	2	120.3550	0.412	6	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.1060	0.300	4	119.6582	1.070	5	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){3|C<3>}	O(C[6a]C[6a]N[6a])	117.8670	0.000	1	119.6582	1.070	5	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	O(C[6a]C[6a]N[6a])	119.2500	0.000	1	119.2500	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])	120.2070	0.000	1	119.9447	0.374	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<2>}	O(C[6a]C[6a]N[6a])	119.8135	0.803	2	119.9447	0.374	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])	117.5890	0.198	6	117.5890	0.039	6	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])	120.5590	0.000	1	120.5590	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	119.5690	0.000	1	119.5690	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	120.1770	0.134	3	120.1770	0.018	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	120.1580	0.000	1	120.1580	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.8192	0.610	11	119.8192	0.372	11	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	120.7710	0.405	3	118.6195	1.402	19	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){2|C<3>}	O(C[6a]C[6a]N[6a])	119.5240	0.000	1	118.6195	1.402	19	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	117.9140	0.000	1	118.6195	1.402	19	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	117.7332	0.497	8	118.6195	1.402	19	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.7332	0.635	5	118.6195	1.402	19	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.4870	0.000	1	118.6195	1.402	19	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.2920	0.000	1	119.2920	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.7706	0.816	24	118.7706	0.666	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])	118.8500	0.000	1	118.3110	0.581	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	O(C[6a]C[6a]N[6a])	117.7720	0.000	1	118.3110	0.581	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)2(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	118.2720	0.000	1	118.2720	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)2(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.8660	0.000	1	120.8660	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	118.9670	0.000	1	118.9670	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	118.5360	0.000	1	118.5360	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])	116.7241	0.759	10	116.7241	0.576	10	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.3280	0.000	1	120.3280	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.0810	0.000	1	120.0810	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.7360	0.000	1	119.7360	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.4300	0.000	1	119.4300	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	118.1577	0.503	3	118.1577	0.253	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.3240	0.000	1	119.3240	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.8300	0.000	1	119.8300	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.8587	0.374	3	119.6226	0.183	5	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.3980	0.000	1	119.6226	0.183	5	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.1390	0.000	1	119.6226	0.183	5	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.1585	0.107	2	118.9550	0.130	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	118.5480	0.000	1	118.9550	0.130	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.7537	0.799	3	119.6282	0.488	4	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.2520	0.000	1	119.6282	0.488	4	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.7910	0.000	1	119.8550	0.177	4	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.8763	0.513	3	119.8550	0.177	4	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|Cl<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	118.3360	0.000	1	119.1867	0.466	16	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.7050	0.000	1	119.1867	0.466	16	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.1200	0.474	2	119.1867	0.466	16	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.3405	0.180	2	119.1867	0.466	16	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.5073	0.596	9	119.1867	0.466	16	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<2>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.4590	0.000	1	119.1867	0.466	16	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	117.4087	0.141	8	117.4087	0.020	8	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	117.6250	0.000	1	117.6250	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.4220	0.000	1	118.2515	0.058	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|S<2>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.0810	0.000	1	118.2515	0.058	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	120.4330	0.324	2	120.4330	0.105	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|I<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	119.8950	0.000	1	119.8950	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	O(C[6a]C[6a]N[6a])	120.1840	0.000	1	120.1840	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.5463	1.346	4	119.5463	1.812	4	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	121.4430	0.290	2	121.1583	0.285	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.5890	0.000	1	121.1583	0.285	3	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.1622	0.511	15	120.1301	0.244	17	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.6470	0.000	1	120.1301	0.244	17	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.1320	0.000	1	120.1301	0.244	17	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.6800	0.000	1	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.2290	0.000	1	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	119.3970	0.000	1	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|N<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	121.6040	0.437	2	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.5050	0.000	1	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	119.0640	0.792	9	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]N[6a])	119.7770	1.014	7	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])	119.1560	0.000	1	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	118.5870	0.000	1	119.5324	1.023	24	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])	119.4675	0.849	2	119.4675	0.721	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.5120	0.000	1	119.5120	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.2290	0.000	1	119.2290	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])	120.8968	0.306	5	120.8968	0.093	5	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])	120.6900	0.000	1	120.6900	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])	122.7210	0.000	1	122.7210	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])	121.2110	1.108	4	121.2110	1.227	4	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	O(C[6a]C[6a]N[6a])	121.4691	0.786	7	121.4691	0.618	7	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])	121.5685	0.340	2	121.5685	0.116	2	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	122.2530	0.000	1	122.2530	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	122.6170	0.000	1	122.6170	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])	122.3940	0.000	1	122.3940	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|Pd<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	122.1030	0.000	1	122.1030	0.000	1	119.3641	1.757	249	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a]S)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Si)(N[6a]C[6a]S)(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.9560	0.000	1	118.9560	0.000	1	118.9560	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.6920	0.000	1	119.6920	0.000	1	119.6920	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	O(C[6a]N[5,6a]N[6a])	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>}	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]N[5,6a]N[6a])	124.1160	0.000	1	124.1160	0.000	1	124.1160	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]N[5a,6a]N[6a])	123.5610	0.000	1	123.5610	0.000	1	124.6985	1.157	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]N[5a,6a]N[6a])	124.5840	0.532	2	124.5840	0.283	2	124.6985	1.157	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]N[5a,6a]N[6a])	126.0650	0.000	1	126.0650	0.000	1	124.6985	1.157	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O){1|C<4>,4|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	O(C[6a]N[5a,6a]N[6a])	122.8270	0.000	1	122.8270	0.000	1	122.8270	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]N[6,6a]N[6a])	122.5780	0.000	1	122.5780	0.000	1	122.5780	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])	119.6600	0.000	1	119.6600	0.000	1	119.6600	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|C<2>,1|N<3>,2|C<3>}	O(C[6a]C[6a]N[6a])	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6a]C[6a]N[6a])	120.4760	0.000	1	120.4760	0.000	1	121.3960	0.620	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]H)(O){1|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])	121.0280	0.000	1	121.0280	0.000	1	121.3960	0.620	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])	122.0400	0.221	2	122.0400	0.049	2	121.3960	0.620	4	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	121.1140	0.000	1	120.2371	0.991	7	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.1010	0.000	1	120.2371	0.991	7	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	118.2950	0.000	1	120.2371	0.991	7	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	120.5375	0.584	4	120.2371	0.991	7	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){4|C<3>}	O(C[6a]C[6a]N[6a])	118.7295	0.536	4	118.7295	0.287	4	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	121.2280	0.614	3	120.4435	1.965	6	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	118.0010	0.000	1	120.4435	1.965	6	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.6960	0.000	1	120.4435	1.965	6	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	121.2800	0.000	1	120.4435	1.965	6	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	122.2050	0.000	1	120.4822	1.814	13	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.2417	0.287	3	120.4822	1.814	13	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.7242	1.152	4	120.4822	1.814	13	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.6565	0.409	2	120.4822	1.814	13	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	122.0430	0.311	3	120.4822	1.814	13	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.6950	0.017	2	120.6950	0.000	2	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	118.2030	0.000	1	120.5623	2.481	4	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.3487	0.107	3	120.5623	2.481	4	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.1080	0.354	2	121.1080	0.125	2	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.9950	0.000	1	120.7745	0.097	2	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.5540	0.000	1	120.7745	0.097	2	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.6240	0.000	1	119.6240	0.000	1	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.0790	0.000	1	121.0500	1.886	2	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]N[6a])	122.0210	0.000	1	121.0500	1.886	2	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){1|N<3>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.6350	0.000	1	121.6350	0.000	1	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	123.2320	0.000	1	123.2320	0.000	1	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]P)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]P)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|P<4>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.4730	0.000	1	121.4730	0.000	1	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|Se<2>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	122.2310	0.000	1	122.2310	0.000	1	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	121.8920	0.238	7	121.8920	0.057	7	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	121.8247	0.130	3	121.8247	0.017	3	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.2703	0.196	4	122.1164	0.590	7	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	121.9113	1.265	3	122.1164	0.590	7	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.5497	0.076	3	122.5497	0.006	3	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	O(C[6a]C[6a]N[6a])	123.6260	0.539	2	123.1676	0.186	8	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.9336	0.251	5	123.1676	0.186	8	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	123.4210	0.000	1	123.1676	0.186	8	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	122.9510	0.340	6	123.0644	0.131	8	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	123.5320	0.000	1	123.0644	0.131	8	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]N[6a])	123.2770	0.000	1	123.0644	0.131	8	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	123.0785	0.332	2	123.0785	0.110	2	121.4165	2.184	85	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	O(C[6a]C[6a]N[6a])	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	123.2170	0.352	3	123.2170	0.124	3	123.2170	0.124	3	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<2>}	O(C[6a]N[6a]2)	121.6033	1.049	14	121.4527	0.945	40	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	O(C[6a]N[6a]2)	122.3217	1.055	3	121.4527	0.945	40	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	122.3315	0.794	2	121.4527	0.945	40	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6a]N[6a]2)	119.2050	0.000	1	121.4527	0.945	40	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	121.3139	0.563	10	121.4527	0.945	40	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	120.5800	2.059	2	121.4527	0.945	40	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.3161	0.469	8	121.4527	0.945	40	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O(C[6a]N[6a]2)	121.1515	0.240	2	121.1515	0.057	2	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,2|N<2>}	O(C[6a]N[6a]2)	122.4460	0.000	1	121.5517	1.802	3	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.1045	1.551	2	121.5517	1.802	3	121.4459	0.925	45	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.9580	0.000	1	121.9580	0.000	1	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.5570	0.174	2	122.5570	0.030	2	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	121.9360	0.414	3	121.9360	0.171	3	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	122.1425	0.138	2	121.6029	0.332	215	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<1>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	121.0390	0.000	1	121.6029	0.332	215	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	O(C[6a]N[6a]2)	121.6232	0.388	4	121.6029	0.332	215	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	121.6234	0.571	201	121.6029	0.332	215	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	O(C[6a]N[6a]2)	120.7325	0.780	2	121.6029	0.332	215	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	120.8450	0.498	2	121.6029	0.332	215	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	O(C[6a]N[6a]2)	121.1140	0.264	3	121.6029	0.332	215	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	O(C[6a]N[6a]2)	119.9090	0.000	1	119.9090	0.000	1	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	121.8490	0.000	1	121.8490	0.000	1	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	122.1062	0.439	13	122.1062	0.193	13	121.6383	0.348	236	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.6570	0.000	1	121.6570	0.000	1	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3){2|C<3>,3|C<4>}	O(C[6a]N[6a]2)	121.4960	0.000	1	121.4960	0.000	1	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.9060	0.000	1	121.9060	0.000	1	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	121.0820	0.000	1	121.6366	0.268	9	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6a]N[6a]2)	122.7790	0.000	1	121.6366	0.268	9	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.5382	0.322	5	121.6366	0.268	9	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]N[6a]2)	121.4130	0.000	1	121.6366	0.268	9	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.7640	0.000	1	121.6366	0.268	9	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	O(C[6a]N[6a]2)	121.4076	0.181	13	121.4118	0.083	19	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.4208	0.469	6	121.4118	0.083	19	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.7110	0.000	2	122.7110	0.000	2	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	121.5050	0.000	1	121.5050	0.000	1	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	122.2460	0.000	1	122.2460	0.000	1	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	121.9260	0.000	1	121.9260	0.000	1	121.6031	0.212	36	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	O(C[6a]N[6a]2)	120.2800	0.000	1	120.2800	0.000	1	120.2800	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){4|C<3>}	O(C[6a]N[6a]2)	122.8150	0.000	1	122.8150	0.000	1	122.1688	0.468	40	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.3285	0.244	2	122.3285	0.060	2	122.1688	0.468	40	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	121.5696	0.588	8	121.9223	0.361	24	122.1688	0.468	40	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6a]N[6a]2)	122.0986	0.541	16	121.9223	0.361	24	122.1688	0.468	40	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.5930	0.000	1	122.5930	0.000	1	122.1688	0.468	40	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.5360	0.113	3	122.5360	0.013	3	122.1688	0.468	40	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	122.4760	1.206	5	122.5492	0.756	9	122.1688	0.468	40	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.6407	0.241	4	122.5492	0.756	9	122.1688	0.468	40	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	120.3780	0.000	2	120.3780	0.000	2	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	121.1171	1.089	16	121.4396	1.205	40	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	120.5783	0.674	3	121.4396	1.205	40	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	124.1660	0.000	1	121.4396	1.205	40	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.5561	0.853	18	121.4396	1.205	40	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.9000	0.334	2	121.4396	1.205	40	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	120.9365	0.493	2	120.9365	0.243	2	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.1766	0.943	10	121.3476	1.123	11	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	123.0580	0.000	1	121.3476	1.123	11	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	120.8500	0.000	1	120.8500	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	121.0343	0.387	4	121.1414	0.324	207	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.1454	0.570	194	121.1414	0.324	207	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.4625	0.319	6	121.1414	0.324	207	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	120.3780	0.567	3	121.1414	0.324	207	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.8460	0.000	1	121.8460	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.6380	0.000	1	122.1718	0.420	30	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.5290	0.509	5	122.1718	0.420	30	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	120.2740	0.000	1	122.1718	0.420	30	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.0157	0.264	3	122.1718	0.420	30	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.4842	0.415	19	122.1718	0.420	30	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.3520	0.000	1	122.1718	0.420	30	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	120.8460	0.122	2	120.8460	0.015	2	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	121.3691	0.692	8	121.2785	0.304	23	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.2302	0.480	15	121.2785	0.304	23	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.9463	0.603	3	122.9463	0.363	3	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	121.2055	0.484	2	121.1520	0.126	3	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	121.0450	0.000	1	121.1520	0.126	3	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.2480	0.000	1	122.2480	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.3620	0.000	1	121.3620	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.8334	0.704	5	122.8334	0.496	5	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	123.1640	1.105	2	123.1640	1.220	2	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	123.0028	0.587	31	122.8973	0.387	72	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)	122.8286	0.588	22	122.8973	0.387	72	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.8698	0.696	13	122.8973	0.387	72	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.6638	0.809	6	122.8973	0.387	72	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.9700	0.000	1	122.9700	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	123.2620	0.000	1	123.2620	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.5918	0.264	4	122.9008	0.272	6	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	123.5190	0.062	2	122.9008	0.272	6	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.9110	0.000	1	122.9110	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.5013	0.313	3	122.8967	0.363	7	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)	122.2720	0.000	1	122.8967	0.363	7	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	123.5003	0.121	3	122.8967	0.363	7	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	123.1640	0.042	2	122.8865	0.128	4	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.6090	0.272	2	122.8865	0.128	4	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.5330	0.000	1	122.5330	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.7150	0.000	1	122.7150	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.2275	0.532	2	122.2275	0.284	2	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	122.7090	0.000	1	122.7090	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.1010	0.000	1	122.1010	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	122.7700	0.000	1	123.0404	0.591	5	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]N[6a]2)	122.0980	0.000	1	123.0404	0.591	5	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	123.4230	0.000	1	123.0404	0.591	5	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	124.1300	0.000	1	123.0404	0.591	5	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.7810	0.000	1	123.0404	0.591	5	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(CC[5a]CH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CC[5a]CH){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	123.1110	0.786	2	123.1110	0.618	2	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.6680	0.000	1	121.6680	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.5875	1.771	2	121.5875	3.138	2	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.0758	0.476	13	122.2545	0.656	14	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	124.5780	0.000	1	122.2545	0.656	14	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	123.6720	0.000	1	123.6720	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.8190	0.807	3	122.0450	0.453	5	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.3840	0.352	2	122.0450	0.453	5	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	120.0230	0.000	1	120.0230	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.2940	0.649	2	121.1984	0.524	38	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.1130	0.000	1	121.1984	0.524	38	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.8570	0.000	1	121.1984	0.524	38	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	121.3809	0.402	9	121.1984	0.524	38	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.1664	0.345	7	121.1984	0.524	38	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.2707	0.929	10	121.1984	0.524	38	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.3700	0.285	6	121.1984	0.524	38	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<4>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	119.2310	0.223	2	121.1984	0.524	38	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]N[6a]2)	121.3904	0.473	7	121.3904	0.224	7	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.1967	0.448	3	122.1967	0.200	3	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.1520	0.000	1	122.3412	0.144	15	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.6480	0.457	3	122.3412	0.144	15	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.2747	0.352	11	122.3412	0.144	15	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.2950	0.000	1	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.8925	0.209	2	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.6950	0.000	1	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.1398	0.519	9	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	122.1124	0.299	9	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.5743	0.822	7	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.6022	0.682	10	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.7500	0.827	6	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	121.7310	0.194	2	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.6577	0.322	4	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	121.4500	0.406	2	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.1075	0.029	2	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.7465	0.244	2	122.0051	0.398	57	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	122.1210	0.000	1	122.1210	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	121.4840	0.074	2	121.4840	0.005	2	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|O<2>,2|O<1>}	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	122.0260	0.000	1	122.0260	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.2250	0.608	53	122.2250	0.370	53	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	122.1730	0.000	1	122.1484	0.008	7	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.1443	0.095	6	122.1484	0.008	7	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	122.9260	0.178	2	122.2433	0.186	14	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.1295	0.344	12	122.2433	0.186	14	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.3560	0.000	1	121.3560	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.7780	0.000	1	121.7780	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.8110	0.000	1	122.2413	0.143	3	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.4565	0.086	2	122.2413	0.143	3	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	123.0100	0.000	1	123.0100	0.000	1	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	121.1460	1.915	2	121.0720	1.850	3	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	120.9240	0.000	1	121.0720	1.850	3	121.7891	0.857	670	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	O(C[6a]N[6a]2)	124.5970	0.000	1	123.8020	1.264	2	123.1720	1.823	3	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	O(C[6a]N[6a]2)	123.0070	0.000	1	123.8020	1.264	2	123.1720	1.823	3	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	O(C[6a]N[6a]2)	121.9120	0.000	1	121.9120	0.000	1	123.1720	1.823	3	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H){1|C<3>,2|F<1>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	123.1850	0.000	1	123.1850	0.000	1	123.1850	0.000	1	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]N[6a]2)	123.1580	0.000	1	123.1580	0.000	1	123.1132	0.130	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[6a]N[6a]2)	122.8250	0.000	1	123.1020	0.172	4	123.1132	0.130	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,3|H<1>}	O(C[6a]N[6a]2)	123.1550	0.000	1	123.1020	0.172	4	123.1132	0.130	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	O(C[6a]N[6a]2)	122.7600	0.000	1	123.1020	0.172	4	123.1132	0.130	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.6680	0.000	1	123.1020	0.172	4	123.1132	0.130	5	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	O(C[6a]N[6a]2)	123.0760	0.000	1	123.0760	0.000	1	123.1110	0.002	2	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.1460	0.000	1	123.1460	0.000	1	123.1110	0.002	2	121.1235	1.582	2153	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]C[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O){2|C<3>,3|C<4>,7|H<1>}	O(C[6a]C[6a,6a]N[6a])	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]N[5a,6a]N[6a])	125.9670	0.000	1	125.9670	0.000	1	125.2090	1.149	2	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O(C[6a]N[5a,6a]N[6a])	124.4510	0.000	1	124.4510	0.000	1	125.2090	1.149	2	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(O){1|O<2>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6a]C[6a]N[6a])	119.9740	0.000	1	119.9740	0.000	1	119.9740	0.000	1	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.7190	0.000	1	123.4700	0.201	3	123.4700	0.201	3	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.3455	0.556	2	123.4700	0.201	3	123.4700	0.201	3	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]N[6a]2)	122.6370	0.000	1	122.6370	0.000	1	122.8207	0.136	3	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	O(C[6a]N[6a]2)	123.2450	0.000	1	123.2450	0.000	1	122.8207	0.136	3	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6a]N[6a]2)	122.5800	0.000	1	122.5800	0.000	1	122.8207	0.136	3	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	3:4:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O){1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O){2|C<3>,3|C<4>,7|H<1>}	O(C[6a]N[6a]2)	123.6620	0.000	1	123.6620	0.000	1	123.6620	0.000	1	123.1661	2.284	11	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:2:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O)	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	122.3852	1.492	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:2:	3:	N[6a]-3:C[6a]-3:O-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a]C[6])(C[6a]C[6a]S)(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])	C[6a](N[6a]N[6a]C[6])(C[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	122.3852	1.492	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:2:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.5140	0.000	1	123.5140	0.000	1	123.1262	0.290	4	122.3852	1.492	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:2:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	122.9315	0.803	2	122.9970	0.335	3	123.1262	0.290	4	122.3852	1.492	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:2:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]N[6a]2)	123.1280	0.000	1	122.9970	0.335	3	123.1262	0.290	4	122.3852	1.492	6	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>,2|H<1>,3|C<4>}	O(C[6a]C[6a,6a]N[6a])	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:C[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(O)	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(O){1|Si<4>,1|C<3>,1|N<3>,3|H<1>}	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.3060	0.000	1	119.3060	0.000	1	119.3060	0.000	1	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.0457	0.724	3	122.2169	0.279	8	122.2169	0.279	8	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	122.0820	0.523	2	122.2169	0.279	8	122.2169	0.279	8	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.4780	0.388	3	122.2169	0.279	8	122.2169	0.279	8	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	123.2330	0.000	1	123.2330	0.000	1	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.8020	0.000	1	122.9193	0.179	7	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	O(C[6a]N[6a]2)	122.7640	0.454	4	122.9193	0.179	7	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	123.2885	0.274	2	122.9193	0.179	7	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	123.9090	0.000	1	123.3830	0.553	2	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.8570	0.000	1	123.3830	0.553	2	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.8410	0.000	1	122.8410	0.000	1	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	121.4240	0.898	2	121.4240	0.806	2	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	121.6160	0.000	1	121.6160	0.000	1	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	122.6740	0.359	4	122.7346	0.115	5	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.9770	0.000	1	122.7346	0.115	5	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	122.5850	0.000	1	122.2218	0.065	6	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.4370	0.000	1	122.2218	0.065	6	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	122.0550	0.000	1	122.2218	0.065	6	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	121.9830	0.000	2	122.2218	0.065	6	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.2880	0.000	1	122.2218	0.065	6	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.4410	0.000	1	123.2870	0.072	3	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]N[6a]2)	123.2100	0.330	2	123.2870	0.072	3	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|F<1>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	122.6920	0.126	2	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.5275	0.069	2	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	122.0695	0.450	2	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	123.8910	0.000	1	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	122.3329	0.508	9	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.7855	0.729	6	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|I<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	123.0785	0.220	2	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.2530	0.402	2	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.1739	0.602	11	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	123.2681	0.589	10	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]N[6a]2)	123.2032	0.603	5	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.0829	0.737	30	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	122.7127	1.785	3	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.1035	0.547	6	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)	122.8810	0.000	1	122.9845	0.521	92	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	O(C[6a]N[6a]2)	123.3430	0.000	2	122.7046	0.469	5	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	O(C[6a]N[6a]2)	122.3930	0.000	1	122.7046	0.469	5	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]N[6a]2)	121.7240	0.000	1	122.7046	0.469	5	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<3>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[6a]N[6a]2)	122.7200	0.000	1	122.7046	0.469	5	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.3810	0.000	1	123.2347	0.061	4	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.9680	0.000	1	123.2347	0.061	4	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6a]N[6a]2)	123.4990	0.000	1	123.2347	0.061	4	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	123.0910	0.000	1	123.2347	0.061	4	122.9120	0.501	129	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6a]N[6a]2)	122.3587	0.109	6	122.3587	0.012	6	122.3587	0.012	6	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	O(C[6a]N[6a]2)	123.0510	0.284	2	123.0510	0.081	2	123.0250	0.042	3	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:3:1:	4:3:3:	3:	N[6a]-3:N[6a]-3:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6a]N[6a]2)	122.9730	0.000	1	122.9730	0.000	1	123.0250	0.042	3	122.8136	0.608	148	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	4:3:1:	4:3:3:	3:	N[6a]-4:N[6a]-3:O-1:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O)	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O){6|C<3>}	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,2|H<1>,8|C<3>}	O(C[6a]N[6a]2)	129.7660	0.000	1	129.7660	0.000	1	129.7660	0.000	1	129.7660	0.000	1	120.9618	2.536	5147	120.9282	2.584	5311
643	217	863	0:SP2_SP2_SP3	C[6a]	N[6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH){1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1