217	643	727	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:N[6,6a]-3:C[5a]-3:	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](N[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	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>}	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>}	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[5,6a]-3:S[5]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)2	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5]){1|N<2>,1|O<1>,4|C<3>}	118.8350	0.000	1	118.8350	0.000	1	118.8350	0.000	1	118.8350	0.000	1	121.0265	9.605	2	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:N[5]-3:N[6a]-3:	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2)	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>}	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2){2|O<1>,4|H<1>,5|C<3>}	123.2180	0.000	1	123.2180	0.000	1	123.2180	0.000	1	123.2180	0.000	1	121.0265	9.605	2	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a])	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>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	122.0045	4.946	6	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.4375	0.457	2	123.4375	0.209	2	123.4375	0.209	2	122.0536	6.164	5	122.0045	4.946	6	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,6|C<3>}	122.8580	0.409	2	122.8580	0.167	2	122.8580	0.167	2	122.0536	6.164	5	122.0045	4.946	6	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2)	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>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2){1|O<1>,5|C<3>}	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	122.0536	6.164	5	122.0045	4.946	6	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	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>}	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	118.7800	0.000	1	118.7800	0.000	1	118.1550	1.461	4	118.1550	1.461	4	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	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>}	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	118.7390	0.307	2	118.7390	0.094	2	118.1550	1.461	4	118.1550	1.461	4	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	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>}	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	116.3620	0.000	1	116.3620	0.000	1	118.1550	1.461	4	118.1550	1.461	4	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	2:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[5a]-2:S[5a]-2:N[6a]-3:	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]H)(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	117.5722	0.122	5	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	2:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[5a]-2:S[5a]-2:N[6a]-3:	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,3|C<3>}	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>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>}	117.4610	0.284	4	117.4610	0.081	4	117.4610	0.081	4	117.5722	0.122	5	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	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>}	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>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	119.5230	0.000	1	119.5230	0.000	1	120.2365	1.578	4	120.2365	1.578	4	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	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>}	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>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	119.6710	0.429	2	119.6710	0.184	2	120.2365	1.578	4	120.2365	1.578	4	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	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>}	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>}	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	122.0810	0.000	1	122.0810	0.000	1	120.2365	1.578	4	120.2365	1.578	4	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N[6a]-3:	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,3|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>}	121.9248	0.229	4	121.9248	0.053	4	121.9248	0.053	4	121.9248	0.053	4	119.4692	3.798	18	120.0980	4.871	28
217	643	727	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	2:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:N[6a]-3:	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	119.4692	3.798	18	120.0980	4.871	28
217	643	727	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	116.3610	0.000	1	116.3610	0.000	1	116.3610	0.000	1	116.3610	0.000	1	116.3610	0.000	1	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[6,6a]-3:C[5a]-3:	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](N[6,6a]C[5,6,6a]C[6,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[6a,6a](N[6,6a]C[5,6,6a]C[6,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a,6a]-3:C[5a,6a]-3:S[5a]-2:	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H)	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	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>}	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|S<2>,2|O<1>,3|C<3>}	C[5a,6a](N[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	122.9265	0.172	2	122.9265	0.030	2	122.2113	0.692	4	122.2113	0.692	4	122.2113	0.692	4	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6])	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.4960	0.000	2	121.4960	0.000	2	122.2113	0.692	4	122.2113	0.692	4	122.2113	0.692	4	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[5,6a]	3:3:1:	3:3:3:	4:3:3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	119.3740	2.131	2	119.3740	4.542	2	119.3740	4.542	2	119.3740	4.542	2	119.6753	2.543	3	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[5,6a]-3:S[5]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[6a,6a](N[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](N[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(S[5]S[5]){1|N<2>,1|O<1>,4|C<3>}	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	119.6753	2.543	3	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H){1|O<1>,4|C<3>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.8217	3.553	6	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C){1|N<2>,1|S<2>,3|C<3>}	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	118.8217	3.553	6	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.4410	0.000	1	120.4410	0.000	1	120.6775	0.112	2	118.6972	5.636	4	118.8217	3.553	6	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.9140	0.000	1	120.9140	0.000	1	120.6775	0.112	2	118.6972	5.636	4	118.8217	3.553	6	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a]){1|O<1>,4|C<3>}	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	118.6972	5.636	4	118.8217	3.553	6	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[3]-4:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:S[5a]-2:	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H)	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	118.6972	5.636	4	118.8217	3.553	6	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:1:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	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>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	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>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	118.7443	0.491	3	118.7443	0.241	3	118.7443	0.241	3	118.7443	0.241	3	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	117.2930	0.231	2	117.2930	0.053	2	117.2930	0.053	2	117.2930	0.053	2	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-3:	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2)	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>}	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|O<1>,2|N<3>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2){2|O<1>,4|H<1>,5|C<3>}	120.8600	0.000	1	120.8600	0.000	1	120.8600	0.000	1	120.8600	0.000	1	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5]){1|N<3>,2|C<3>,2|O<1>}	120.0610	0.000	1	120.0610	0.000	1	119.1075	1.757	21	119.1021	1.633	23	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5])	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]){1|H<1>,1|N<3>,2|O<1>}	119.8635	0.620	2	119.8635	0.385	2	119.1075	1.757	21	119.1021	1.633	23	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	118.9019	1.526	14	119.0058	1.999	17	119.1075	1.757	21	119.1021	1.633	23	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){2|Ni<6>,1|N<3>,2|O<1>}	119.4907	0.654	3	119.0058	1.999	17	119.1075	1.757	21	119.1021	1.633	23	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	118.3720	0.000	1	118.3720	0.000	1	119.1075	1.757	21	119.1021	1.633	23	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:O[5]-2:	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	118.4230	0.000	1	118.4230	0.000	1	119.0455	0.775	2	119.1021	1.633	23	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:O[5]-2:	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	119.6680	0.000	1	119.6680	0.000	1	119.0455	0.775	2	119.1021	1.633	23	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,5a]-3:C[5,6a]-3:N[6a]-3:	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	121.1135	0.060	2	121.1135	0.004	2	120.8698	0.354	5	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	120.5130	0.994	2	120.7073	0.608	3	120.8698	0.354	5	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){2|O<1>,5|C<3>}	121.0960	0.000	1	120.7073	0.608	3	120.8698	0.354	5	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	116.7740	0.000	1	116.7740	0.000	1	116.7740	0.000	1	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	118.2700	0.000	1	118.2790	0.341	8	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	118.2157	0.633	4	118.2790	0.341	8	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|N<3>,2|O<1>}	119.1100	0.000	1	118.2790	0.341	8	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Rh<6>,1|C<4>,1|N<3>,2|O<1>}	118.3920	0.000	1	118.2790	0.341	8	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<3>,2|O<1>}	117.5970	0.000	1	118.2790	0.341	8	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	118.9000	1.356	2	118.9000	1.839	2	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	118.1967	0.403	3	118.4058	0.181	10	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	118.4954	0.432	7	118.4058	0.181	10	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	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>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	117.5950	0.929	2	117.5950	0.863	2	118.3309	0.406	22	118.8079	1.616	29	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH)	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>}	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(O){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	120.8120	0.000	1	120.8120	0.000	1	120.8120	0.000	1	120.8120	0.000	1	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH){1|C<3>,1|S<1>,2|S<2>}	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	121.9980	0.035	2	121.9980	0.001	2	121.9457	0.009	3	121.9457	0.009	3	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:3:4:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3)	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3){1|C<3>,1|S<1>,2|S<2>}	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	121.8410	0.000	1	121.8410	0.000	1	121.9457	0.009	3	121.9457	0.009	3	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5,6a]	3:4:3:	3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH)	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>}	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>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	119.0881	1.933	64	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){3|C<3>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|N<2>,3|H<1>}	113.9000	0.000	1	113.9000	0.000	1	116.0405	9.163	2	117.6560	12.411	3	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	118.1810	0.000	1	118.1810	0.000	1	116.0405	9.163	2	117.6560	12.411	3	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	117.6560	12.411	3	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	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>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	120.7380	0.399	4	120.7380	0.159	4	120.7380	0.159	4	120.7380	0.159	4	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	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>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>}	122.6960	0.000	1	122.7517	0.053	3	122.7517	0.053	3	121.1166	4.784	8	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	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>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	123.0050	0.000	1	122.7517	0.053	3	122.7517	0.053	3	121.1166	4.784	8	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	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>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<4>,2|C<3>}	122.5540	0.000	1	122.7517	0.053	3	122.7517	0.053	3	121.1166	4.784	8	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	117.6685	0.189	2	117.6685	0.036	2	117.6685	0.036	2	121.1166	4.784	8	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<1>,2|C<4>}	122.0520	0.000	1	122.0520	0.000	1	121.7803	0.112	3	121.1166	4.784	8	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	121.8820	0.000	1	121.8820	0.000	1	121.7803	0.112	3	121.1166	4.784	8	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>}	121.4070	0.000	1	121.4070	0.000	1	121.7803	0.112	3	121.1166	4.784	8	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	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>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H){1|O<1>,4|C<3>}	121.1130	0.328	2	121.1130	0.108	2	121.1130	0.108	2	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){2|H<1>,4|C<3>}	120.6760	0.038	2	119.9077	1.772	3	119.9077	1.772	3	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	118.3710	0.000	1	119.9077	1.772	3	119.9077	1.772	3	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H)	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	122.8705	0.265	2	122.8705	0.070	2	122.8705	0.070	2	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]2)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,4|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]2)(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	120.7660	0.000	1	120.7660	0.000	1	120.6625	0.021	2	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	120.5590	0.000	1	120.5590	0.000	1	120.6625	0.021	2	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H)	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	121.8760	0.000	1	121.8760	0.000	1	122.4798	0.135	5	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H)	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	122.6250	0.000	1	122.6250	0.000	1	122.4798	0.135	5	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>}	122.8470	0.000	1	122.6327	0.042	3	122.4798	0.135	5	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	122.5255	0.125	2	122.6327	0.042	3	122.4798	0.135	5	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H)	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>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]C[5])(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.9970	0.416	2	121.9970	0.173	2	121.9970	0.173	2	121.5880	1.513	16	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	119.7210	0.000	1	119.9223	0.171	6	119.9223	0.171	6	119.9223	0.171	6	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	119.6690	0.151	2	119.9223	0.171	6	119.9223	0.171	6	119.9223	0.171	6	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	120.1583	0.497	3	119.9223	0.171	6	119.9223	0.171	6	119.9223	0.171	6	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>}	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a])	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>}	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH){4|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2)	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>}	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>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2){1|O<1>,5|C<3>}	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	120.1267	3.377	3	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.0665	0.098	2	119.0665	0.010	2	119.0665	0.010	2	120.1267	3.377	3	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,6|C<3>}	117.7530	0.095	2	117.7530	0.009	2	117.7530	0.009	2	117.7530	0.009	2	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|O<1>,2|H<1>}	115.7510	0.000	1	115.7510	0.000	1	116.0400	0.167	2	115.9267	0.073	4	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	116.3290	0.000	1	116.3290	0.000	1	116.0400	0.167	2	115.9267	0.073	4	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	115.8135	0.040	2	115.8135	0.002	2	115.8135	0.002	2	115.9267	0.073	4	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C)	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>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	120.4030	0.000	1	120.4030	0.000	1	120.4030	0.000	1	120.4030	0.000	1	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|Br<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	119.1660	0.000	1	119.1660	0.000	1	119.1132	0.110	5	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	118.9907	0.383	3	118.9907	0.146	3	119.1132	0.110	5	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO){1|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	119.4280	0.000	1	119.4280	0.000	1	119.1132	0.110	5	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	119.9700	0.000	1	119.7517	0.098	3	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	119.8910	0.000	1	119.7517	0.098	3	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	119.3940	0.000	1	119.7517	0.098	3	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|O<1>}	118.6860	0.000	1	118.6860	0.000	1	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	119.1820	0.000	1	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,2|N<3>}	120.2580	0.082	2	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	119.5950	0.222	5	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	119.7380	0.000	1	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	119.5547	0.461	111	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|I<1>,1|N<3>,2|O<1>}	119.5295	0.336	2	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	120.2710	0.000	1	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|N<3>,2|O<1>}	119.4480	0.059	2	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Co<6>,1|H<1>,1|N<3>,2|O<1>}	119.4350	0.000	1	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Mg<6>,1|H<1>,1|N<3>,2|O<1>}	119.7060	0.000	1	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<4>,2|O<1>}	120.0730	0.000	1	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	119.3746	0.368	69	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pd<4>,1|C<4>,1|N<3>,2|O<1>}	120.1100	0.535	2	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pt<4>,1|H<1>,1|N<3>,2|O<1>}	119.0545	0.327	2	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<4>,1|H<1>,1|N<3>,2|O<1>}	119.9440	0.000	1	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<5>,1|H<1>,1|N<3>,2|O<1>}	119.4225	0.086	2	119.5068	0.189	204	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Cu<5>,1|N<3>,2|O<1>}	119.0740	0.079	2	119.1472	0.029	4	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Ni<6>,1|N<3>,2|O<1>}	119.2205	0.245	2	119.1472	0.029	4	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	118.7776	0.231	13	118.7776	0.053	13	119.4579	0.210	225	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	117.4570	0.000	1	117.4570	0.000	1	117.4570	0.000	1	119.4237	0.301	232	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)	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>}	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>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	120.0190	0.000	1	120.0190	0.000	1	120.0190	0.000	1	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C)	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>}	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>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	120.3970	0.175	2	120.3970	0.031	2	119.9563	0.598	3	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,4|C<3>}	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>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	119.0750	0.000	1	119.0750	0.000	1	119.9563	0.598	3	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C)	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>}	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>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	123.2030	0.000	1	123.2030	0.000	1	123.2030	0.000	1	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){2|H<1>,4|C<3>}	119.5140	0.000	1	120.1190	0.287	3	120.1190	0.287	3	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){3|C<3>,3|H<1>}	120.4215	0.156	2	120.1190	0.287	3	120.1190	0.287	3	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C){2|C<3>,3|H<1>}	119.9250	0.000	1	119.9250	0.000	1	119.9250	0.000	1	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	120.9770	0.000	1	120.9770	0.000	1	120.9770	0.000	1	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C)	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	120.9430	0.236	2	120.9430	0.056	2	120.9430	0.056	2	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	119.3240	0.000	1	119.1967	0.015	3	118.9766	0.310	7	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	119.1330	0.078	2	119.1967	0.015	3	118.9766	0.310	7	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	119.3590	0.180	2	119.3590	0.032	2	118.9766	0.310	7	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	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>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	118.2640	0.585	2	118.2640	0.343	2	118.9766	0.310	7	119.9512	1.334	19	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C[6a]-3:	N[5a,6a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C){6|C<3>}	116.4660	0.000	1	116.4660	0.000	1	116.4660	0.000	1	116.4660	0.000	1	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:4:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:4:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	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>}	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>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.6030	0.000	1	119.6030	0.000	1	119.7340	0.034	2	119.7340	0.034	2	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:4:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	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>}	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	119.8650	0.000	1	119.8650	0.000	1	119.7340	0.034	2	119.7340	0.034	2	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	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>}	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>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	121.0465	0.349	2	121.0465	0.122	2	120.6293	0.583	3	120.6293	0.583	3	119.5668	1.253	308	119.4863	1.543	389
217	643	727	6:SP2_SP2_SP2	N[6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	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>}	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>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.7950	0.000	1	119.7950	0.000	1	120.6293	0.583	3	120.6293	0.583	3	119.5668	1.253	308	119.4863	1.543	389
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:C[6,6a]-3:	N[6,6a]-3:C[6]-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)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	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[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	121.3930	0.000	1	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	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[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	122.6930	0.000	1	122.6930	0.000	1	122.6930	0.000	1	121.7037	1.039	3	121.8941	2.300	8	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a]-3:N[6]-3:O-1:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6a,6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	C[6a,6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	121.2090	0.781	2	121.2090	0.609	2	121.2090	0.609	2	121.7037	1.039	3	121.8941	2.300	8	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:N-3:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH){1|H<1>,1|N<2>,5|C<3>}	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	121.8941	2.300	8	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:N[6]-3:H-1:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6,6a]B[6,6a]C[6])(C[6a]C[6a]H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6,6a]B[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,3|O<2>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H){2|O<2>,4|C<3>}	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	121.8941	2.300	8	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:H-1:	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	123.3760	0.000	1	122.9173	0.256	3	122.9173	0.256	3	122.9173	0.256	3	121.8941	2.300	8	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:H-1:	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){3|O<2>,5|C<3>}	122.6880	0.444	2	122.9173	0.256	3	122.9173	0.256	3	122.9173	0.256	3	121.8941	2.300	8	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H){2|H<1>,5|C<3>}	121.3585	0.790	2	121.3585	0.624	2	121.3585	0.624	2	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H){2|H<1>,5|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.5030	0.000	1	121.5030	0.000	1	121.5030	0.000	1	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O){2|H<1>,5|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.3060	0.000	1	120.3060	0.000	1	120.3060	0.000	1	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(H){2|H<1>,5|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	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[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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|N<2>,1|O<1>,3|C<3>}	116.6360	0.000	1	116.6360	0.000	1	116.6360	0.000	1	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	117.9530	0.000	1	117.9530	0.000	1	118.7048	1.109	5	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	117.2320	0.000	1	117.2320	0.000	1	118.7048	1.109	5	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.5570	0.000	1	119.5570	0.000	1	118.7048	1.109	5	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru)(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru)(H){1|H<1>,4|C<3>}	119.2630	0.000	1	119.2630	0.000	1	118.7048	1.109	5	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	119.5190	0.000	1	119.5190	0.000	1	118.7048	1.109	5	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:N[6]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(O){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	116.5910	0.000	1	116.5910	0.000	1	116.8550	0.139	2	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.1190	0.000	1	117.1190	0.000	1	116.8550	0.139	2	118.8208	4.814	14	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:N-2:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	118.1390	0.000	1	118.1390	0.000	1	118.1390	0.000	1	117.5465	0.702	2	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:O-2:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){2|H<1>,3|C<3>}	116.9540	0.000	1	116.9540	0.000	1	116.9540	0.000	1	117.5465	0.702	2	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:N-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH){2|H<1>,5|C<3>}	120.7520	0.000	1	120.7520	0.000	1	120.7520	0.000	1	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	119.9533	0.394	3	119.9533	0.155	3	119.3113	1.752	4	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	117.3850	0.000	1	117.3850	0.000	1	119.3113	1.752	4	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	119.9680	0.000	1	119.9680	0.000	1	119.9680	0.000	1	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	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>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	118.8550	0.000	1	118.8550	0.000	1	118.8550	0.000	1	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	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[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O){6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	117.7520	0.000	1	117.7520	0.000	1	117.7520	0.000	1	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2)	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>}	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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	120.0600	0.000	1	120.0600	0.000	1	120.1910	0.034	2	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	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[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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	120.3220	0.000	1	120.3220	0.000	1	120.1910	0.034	2	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a,6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){8|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H){7|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	117.2260	0.000	1	117.2260	0.000	1	117.2260	0.000	1	119.2891	1.633	11	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a]-3:C[6]-3:C-4:	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	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>}	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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>}	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:C[6]-4:N-2:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a])	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>}	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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:N-2:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH){1|N<2>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	116.3760	0.000	1	116.3760	0.000	1	116.3760	0.000	1	116.8655	0.479	2	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-2:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OCd)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OCd){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.3550	0.000	1	117.3550	0.000	1	117.3550	0.000	1	116.8655	0.479	2	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(COO)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(COO){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	119.4963	1.144	6	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](C[6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	118.1730	0.665	2	118.1730	0.442	2	118.1730	0.442	2	119.4963	1.144	6	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.2070	0.014	2	120.2070	0.000	2	120.2040	0.000	3	119.4963	1.144	6	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)2{4|H<1>,7|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.1980	0.000	1	120.1980	0.000	1	120.2040	0.000	3	119.4963	1.144	6	118.9664	2.906	37	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[6]-3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:N[6]-3:C[6]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)(C[6]C[6]N[6])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]B[6a]C[6])(C[6a]C[6a]H)	C[6](N[6a]C[6a,6a]B[6a])(N[6]C[6]Ir)(C[6]C[6]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)(C[6]C[6]N[6]){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]B[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](N[6a]C[6a,6a]B[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	122.6370	0.324	2	122.6370	0.105	2	122.6370	0.105	2	122.6370	0.105	2	122.6370	0.105	2	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6]-2:N[6]-2:	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|N<3>,2|C<3>,2|H<1>,3|N<2>}	120.7943	1.446	4	120.4772	1.189	8	120.4772	1.189	8	120.4772	1.189	8	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6]-2:N[6]-2:	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<5>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|Pd<5>,1|N<2>,2|C<3>,2|H<1>,3|N<3>}	120.1603	0.644	4	120.4772	1.189	8	120.4772	1.189	8	120.4772	1.189	8	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6]-3:N[6a]-3:C[6]-3:	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cd)(N[6a]C[6a]2)(C[6]C[6]H)	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>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]Cd)(N[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	117.7870	0.000	1	117.7870	0.000	1	117.7870	0.000	1	116.8770	1.168	38	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6]-3:N[6a]-3:C[6]-3:	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(O)	C[6](N[6]C[6,6a]Cd)(N[6a]C[6a]2)(C[6]C[6]H)	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>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cd)(N[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	119.0800	0.000	1	119.0800	0.000	1	119.0800	0.000	1	116.8770	1.168	38	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6]-3:N[6]-3:	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	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>}	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>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	114.6530	0.424	2	114.6530	0.180	2	114.2070	0.687	3	116.8770	1.168	38	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6]-3:N[6]-3:	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	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>}	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>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.3150	0.000	1	113.3150	0.000	1	114.2070	0.687	3	116.8770	1.168	38	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6]-3:C[6]-3:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	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>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	117.0427	0.497	24	117.0427	0.247	24	117.0254	0.439	33	116.8770	1.168	38	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6]-3:C[6]-3:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)2	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	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>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	116.9792	1.021	9	116.9792	1.042	9	117.0254	0.439	33	116.8770	1.168	38	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6]-3:N[6]-3:	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	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>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	121.5980	0.031	2	121.5980	0.001	2	121.5980	0.001	2	121.5980	0.001	2	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:C[6]-3:N[6]-3:	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	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>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.5400	0.000	1	122.5400	0.000	1	122.5400	0.000	1	120.3217	3.968	3	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6]-3:C[6]-3:	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	119.7390	0.000	1	119.7390	0.000	1	119.2125	0.554	2	120.3217	3.968	3	117.8295	3.941	51	118.7160	4.888	99
217	643	762	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6]-3:C[6]-3:	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	118.6860	0.000	1	118.6860	0.000	1	119.2125	0.554	2	120.3217	3.968	3	117.8295	3.941	51	118.7160	4.888	99
217	643	762	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	N[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	N[6,6,6a]-3:C[6,6a]-3:C[6]-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])	C[6,6a,6a](N[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]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]){2|H<1>,7|C<3>}	C[6,6a,6a](N[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	120.3950	0.000	1	120.3950	0.000	1	120.3950	0.000	1	120.3950	0.000	1	120.3950	0.000	1	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:2:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	N[6,6,6a]-3:N[6]-3:N[6]-2:	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6])	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2){1|H<1>,3|C<3>}	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6]){6|N<2>}	119.9850	1.778	2	119.9850	3.160	2	119.9850	3.160	2	119.9850	3.160	2	119.7143	1.800	3	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	N[6,6,6a]-3:C[6a,6a]-3:C[6]-3:	N[6,6,6a]-3:C[6,6a]-3:C[6]-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])	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)	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]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]){2|H<1>,7|C<3>}	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>}	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	119.7143	1.800	3	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){3|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-2:S[6]-2:	N[6,6a]-3:C[6]-3:C-4:	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	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>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|O<1>,2|C<3>,4|C<4>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>}	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6]-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)	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	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[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.8280	0.000	1	118.8280	0.000	1	118.8280	0.000	1	119.6637	1.827	3	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	119.6637	1.827	3	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	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[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	119.6637	1.827	3	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	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[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|O<1>,5|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6,6a]-3:C[6]-4:N-2:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a])	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>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	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[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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|N<2>,1|O<1>,3|C<3>}	122.7580	0.000	1	122.7580	0.000	1	122.7580	0.000	1	121.3143	2.134	3	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	N[6,6a]-3:N[6]-3:O-1:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	120.5925	1.068	2	120.5925	1.142	2	120.5925	1.142	2	121.3143	2.134	3	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6]-3:N-2:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	121.7580	0.000	1	121.7580	0.000	1	121.7580	0.000	1	121.7580	0.000	1	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	119.6340	5.262	2	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	N[6,6a]-3:C[6,6a]-3:N-3:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a])	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]){1|H<1>,1|N<3>,6|C<3>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH){1|H<1>,1|N<2>,5|C<3>}	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	119.6340	5.262	2	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H){2|H<1>,5|C<3>}	119.9740	2.175	2	119.9740	4.731	2	119.9740	4.731	2	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:N[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)(N[6,6a]C[6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)(N[6,6a]C[6a]C[6]){2|H<1>,8|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:N[6]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[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](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	124.6690	0.000	1	124.6690	0.000	1	124.6690	0.000	1	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a,6a]C[6])(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])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.3685	0.375	2	120.3685	0.141	2	120.3685	0.141	2	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	117.9940	0.000	1	117.9940	0.000	1	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.2310	0.000	1	119.2310	0.000	1	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.1940	0.000	1	120.1940	0.000	1	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.1750	0.232	2	119.1967	0.028	3	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.2400	0.000	1	119.1967	0.028	3	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	122.0450	0.000	1	122.0450	0.000	1	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.5570	0.000	1	120.5570	0.000	1	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru)(H)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru)(H){1|H<1>,4|C<3>}	119.9920	0.000	1	119.9920	0.000	1	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	120.8860	0.000	1	120.8860	0.000	1	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.9700	0.000	1	119.9700	0.000	1	119.8599	1.171	11	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:Ge[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H)	C[6,6a](N[6,6a]Ge[6a]C[6])(C[6a]C[6a]Si)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]Ge[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]Ge[6a])(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	120.2819	2.024	20	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:O-2:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){2|H<1>,3|C<3>}	122.8390	0.000	1	122.8390	0.000	1	122.8390	0.000	1	122.8390	0.000	1	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	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>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	120.6100	0.000	1	120.6100	0.000	1	120.6100	0.000	1	120.7326	0.465	9	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH)	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[6,6a](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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH){2|H<1>,5|C<3>}	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	120.7326	0.465	9	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	120.9237	0.359	3	120.9237	0.129	3	120.9237	0.129	3	120.7326	0.465	9	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	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[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	120.7326	0.465	9	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6,6a]C[6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,8|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	119.9580	0.000	1	119.9580	0.000	1	120.6100	1.641	3	120.7326	0.465	9	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6]){2|H<1>,8|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	122.0860	0.000	1	122.0860	0.000	1	120.6100	1.641	3	120.7326	0.465	9	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2)	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>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,8|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	119.7860	0.000	1	119.7860	0.000	1	120.6100	1.641	3	120.7326	0.465	9	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.6020	0.000	1	119.6020	0.000	1	119.4753	0.933	4	119.4753	0.933	4	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){3|C<3>,3|C<4>}	118.7910	0.553	2	118.7910	0.306	2	119.4753	0.933	4	119.4753	0.933	4	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|F<1>,3|C<3>}	120.7170	0.000	1	120.7170	0.000	1	119.4753	0.933	4	119.4753	0.933	4	120.3477	1.890	47	120.3132	1.798	52
217	643	762	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:C-4:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3)	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[6,6a](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>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	117.9080	0.000	1	117.9080	0.000	1	117.9080	0.000	1	117.9080	0.000	1	120.3477	1.890	47	120.3132	1.798	52
217	643	811	0:SP2_SP2_SP3	N[6,6a,6a]	C[6a,6a]	B[6,6a,6a]	4:3:3:	3:3:3:	3:3:3:1:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	N[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a,6a]-3:N[6,6a,6a]-3:C[3x6a]-3:H-1:	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[6,6a,6a]B[6,6a,6a]N[6,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H)	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6a,6a](N[6,6a,6a]B[6,6a,6a]N[6,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|H<1>,4|C<3>}	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,8|C<3>}	125.3810	0.182	2	125.3810	0.033	2	125.3810	0.033	2	125.3810	0.033	2	125.3810	0.033	2	122.1053	12.063	9
217	643	811	0:SP2_SP2_SP3	N[6a,6a]	C[6a]	B[3x6a]	4:3:3:	3:3:3:	3:3:3:3:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-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)	C[6a](N[6a,6a]C[6a,6a]B[3x6a])(C[6a]C[6a]C)2	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	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>}	C[6a](N[6a,6a]C[6a,6a]B[3x6a])(C[6a]C[6a]C)2{1|B<4>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	128.0060	0.000	1	128.0060	0.000	1	128.0060	0.000	1	128.0060	0.000	1	128.0060	0.000	1	122.1053	12.063	9
217	643	811	0:SP2_SP2_SP3	N[6a,6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:4:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(H)	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){4|C<3>,4|C<4>,4|H<1>}	C[6a](N[6a,6a]B[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	122.1053	12.063	9
217	643	811	0:SP2_SP2_SP3	N[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	117.3780	0.000	1	119.1410	3.038	3	119.1410	3.038	3	119.1410	3.038	3	119.6022	2.876	4	122.1053	12.063	9
217	643	811	0:SP2_SP2_SP3	N[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){3|C<3>,3|C<4>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	120.0225	1.189	2	119.1410	3.038	3	119.1410	3.038	3	119.1410	3.038	3	119.6022	2.876	4	122.1053	12.063	9
217	643	811	0:SP2_SP2_SP3	N[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:4:	3:3:4:4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	119.6022	2.876	4	122.1053	12.063	9
217	643	811	0:SP2_SP2_SP3	N[6a]	C[6a]	B[6a]	4:3:3:	3:3:3:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	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>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2{1|N<4>,1|O<1>,2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	122.1053	12.063	9
217	643	811	6:SP2_SP2_SP3	N[6,6a]	C[6,6a]	B[6a]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:F-1:F-1:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2	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[6,6a](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>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2{2|H<1>,5|C<3>}	124.1560	0.000	1	124.1560	0.000	1	124.1560	0.000	1	124.1560	0.000	1	122.3214	2.179	5	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6,6a]	C[6,6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	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[6,6a](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>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	120.3590	0.000	1	120.3590	0.000	1	121.8628	1.503	4	121.8628	1.503	4	122.3214	2.179	5	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6,6a]	C[6,6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	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[6,6a](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>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	122.6160	0.000	1	122.6160	0.000	1	121.8628	1.503	4	121.8628	1.503	4	122.3214	2.179	5	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6,6a]	C[6,6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	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[6,6a](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>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	122.2380	1.182	2	122.2380	1.398	2	121.8628	1.503	4	121.8628	1.503	4	122.3214	2.179	5	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6,6a]	C[6a,6a]	B[6,6a]	3:4:3:	3:3:3:	3:3:2:2:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6,6a]B[6,6a]C[6])(C[6a]C[6a]H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6,6a]B[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,3|O<2>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	117.5857	2.946	4	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6,6a]	C[6a,6a]	B[6,6a]	4:3:3:	3:3:3:	3:3:2:2:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6a,6a](N[6,6a]B[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	117.0333	1.609	3	117.0333	2.588	3	117.0333	2.588	3	117.0333	2.588	3	117.5857	2.946	4	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6a,6a]	C[6a,6a]	B[3x6a]	4:3:3:	4:3:2:	3:3:3:3:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[6a,6a]-3:C-2:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-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)	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	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>}	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>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6a,6a]	C[6a,6a]	B[6,6,6a]	4:3:3:	3:3:3:	3:3:4:4:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6,6,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){4|C<3>,4|C<4>,4|H<1>}	C[6a,6a](N[6a,6a]B[6,6,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6a,6a]	C[6a,6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	120.3630	0.000	1	120.3630	0.000	1	121.4788	0.805	4	121.4788	0.805	4	121.4788	0.805	4	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6a,6a]	C[6a,6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]C)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	122.5120	0.000	1	122.5120	0.000	1	121.4788	0.805	4	121.4788	0.805	4	121.4788	0.805	4	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6a,6a]	C[6a,6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	121.5200	0.317	2	121.5200	0.100	2	121.4788	0.805	4	121.4788	0.805	4	121.4788	0.805	4	120.5668	9.959	16
217	643	811	6:SP2_SP2_SP3	N[6a]	C[6a]	B[6a]	4:3:3:	4:3:1:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	N[6a]-4:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	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>}	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O){6|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	127.2900	0.000	1	127.2900	0.000	1	127.2900	0.000	1	127.2900	0.000	1	127.2900	0.000	1	120.5668	9.959	16
217	643	813	0:SP2_SP2_SP2	N[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2)	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>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[5a])(O){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	115.7670	0.041	2	115.7670	0.002	2	115.7670	0.002	2	115.7670	0.002	2	117.0820	2.339	4	117.0820	2.339	4
217	643	813	0:SP2_SP2_SP2	N[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2)	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>}	C[6a](N[6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	118.3970	0.315	2	118.3970	0.099	2	118.3970	0.099	2	118.3970	0.099	2	117.0820	2.339	4	117.0820	2.339	4
217	643	818	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[5]-3:N[5]-2:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O)	C[5](N[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	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>}	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>}	C[5](N[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	122.4470	0.000	1	122.4470	0.000	1	122.4470	0.000	1	122.4470	0.000	1	120.3764	2.054	5	120.3764	2.054	5
217	643	818	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5]	3:3:3:	3:2:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:C[5]-4:C[5]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	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>}	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>}	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	120.1060	1.437	2	120.1060	2.065	2	120.1060	2.065	2	120.1060	2.065	2	120.3764	2.054	5	120.3764	2.054	5
217	643	818	0:SP2_SP2_SP2	N[6a]	C[6a]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[5]-4:C[5]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	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>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	119.6115	0.739	2	119.6115	0.546	2	119.6115	0.546	2	119.6115	0.546	2	120.3764	2.054	5	120.3764	2.054	5
217	643	856	0:SP2_SP2_SP2	N[6a]	C[6a]	N[6]	3:3:3:	3:2:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6a]-3:N[6a]-2:C-4:	C[6]-3:N[6a]-3:C[6]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3)	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C)	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>}	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	119.8010	0.000	2	119.8010	0.000	2	119.8010	0.000	2	119.8010	0.000	2	117.1770	9.181	4	117.1770	9.181	4
217	643	856	0:SP2_SP2_SP2	N[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6]-3:N[6a]-3:C[6]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6])(O)	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C)	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>}	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[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	114.5530	0.000	2	114.5530	0.000	2	114.5530	0.000	2	114.5530	0.000	2	117.1770	9.181	4	117.1770	9.181	4
217	643	856	0:SP2_SP2_SP3	N[6,6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-4:C-4:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6a](N[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]C)(H)	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]C)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3){1|H<1>,3|C<3>}	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	119.0480	1.575	3
217	643	856	0:SP2_SP2_SP3	N[6a]	C[6a]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6]-4:C[6]-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	119.3500	2.604	2	119.0480	1.575	3
217	643	856	0:SP2_SP2_SP3	N[6a]	C[6a]	N[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6]-4:C[6]-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH)	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	119.3500	2.604	2	119.0480	1.575	3
217	643	856	6:SP2_SP2_SP3	N[6,6a]	C[6,6a,6a]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6]-4:C-4:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3){1|H<1>,3|C<3>}	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1
217	643	863	0:SP2_SP2_SP2	N[6a]	C[6a]	O	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|C<4>}	O(N[6a]C[6a]2)	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	117.9220	0.776	2	117.9220	0.776	2
217	643	863	0:SP2_SP2_SP2	N[6a]	C[6a]	O	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	O(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O(N[6a]C[6a]2)	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	117.9220	0.776	2	117.9220	0.776	2
217	643	874	0:SP2_SP2_SP3	N[6,6a]	C[6,6a]	B[3x6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	N[6,6a]-3:C[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-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])	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	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[6,6a](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>}	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1
217	643	874	6:SP2_SP2_SP3	N[6,6a]	C[6,6a]	B[3x6]	3:3:4:	3:3:3:	3:4:4:4:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-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])	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	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[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1
217	643	880	0:SP2_SP2_SP3	N[6a]	C[6a]	Si	3:3:4:	3:3:1:	3:4:4:4:	B[6a]-3:C[6a]-3:Si-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C-4:C-4:C-4:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3)	C[6a](N[6a]B[6a]Si)(C[6a]C[6a]H)(H)	Si(N[6a]B[6a]C[6a])(CH3)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3){2|H<1>,3|C<3>}	C[6a](N[6a]B[6a]Si)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Si(N[6a]B[6a]C[6a])(CH3)3	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	118.9885	16.768	2	118.9885	16.768	2
217	643	880	0:SP2_SP2_SP3	N[6a]	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[6a]-3:C[6a]-3:Si-4:	C[6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C-4:C-4:C-4:	N[6a](Ge[6a]N[6,6a]Mo)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6,6a]Si)(N[6a]Ge[6a]Si)(C[6a]C[6a]2)	Si(N[6a]Ge[6a]C[6a])(CH3)3	N[6a](Ge[6a]N[6,6a]Mo)(C[6a]C[6a]2)(SiC3){1|Si<4>,4|C<3>}	C[6a](C[6a]C[6,6a]Si)(N[6a]Ge[6a]Si)(C[6a]C[6a]2){1|Mo<9>,1|N<3>,2|H<1>,3|C<3>}	Si(N[6a]Ge[6a]C[6a])(CH3)3	121.8840	0.000	1	121.8840	0.000	1	121.8840	0.000	1	121.8840	0.000	1	118.9885	16.768	2	118.9885	16.768	2
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6,6a]	O	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH)	O(N[6a]C[6,6a]C[6a])(CH3)	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>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>}	O(N[6a]C[6,6a]C[6a])(CH3)	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	O(N[6a]C[6a,6a]C[6a])(H)	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(N[6a]C[6a,6a]C[6a])(H)	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	116.7282	0.167	6	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]O)	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(N[6a]C[6a,6a]C[6a])(CH3)	117.2440	0.000	1	117.2440	0.000	1	116.6370	0.147	5	116.6370	0.147	5	116.7282	0.167	6	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(N[6a]C[6a,6a]C[6a])(CH3)	116.5510	0.194	3	116.4852	0.042	4	116.6370	0.147	5	116.6370	0.147	5	116.7282	0.167	6	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	O(N[6a]C[6a,6a]C[6a])(CH3)	116.2880	0.000	1	116.4852	0.042	4	116.6370	0.147	5	116.6370	0.147	5	116.7282	0.167	6	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O)	O(N[6a]C[6a,6a]C[6a])(H)	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>}	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O){1|O<2>,2|C<3>}	O(N[6a]C[6a,6a]C[6a])(H)	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	117.0710	0.574	31	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O){1|C<4>,3|C<3>}	O(N[6a]C[6a]2)(H)	117.1660	0.010	2	117.1660	0.000	2	117.1660	0.000	2	117.0710	0.574	31	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]O)(H)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	O(N[6a]C[6a]2)(H)	117.1773	0.324	4	117.1773	0.105	4	117.4252	0.386	5	117.0710	0.574	31	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	O(N[6a]C[6a]2)(H)	118.4170	0.000	1	118.4170	0.000	1	117.4252	0.386	5	117.0710	0.574	31	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|H<1>,2|C<3>}	O(N[6a]C[6a]2)(H)	118.3440	0.068	2	118.3440	0.005	2	117.2214	0.538	18	117.0710	0.574	31	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|C<4>}	O(N[6a]C[6a]2)(H)	116.7575	0.302	12	116.7575	0.091	12	117.2214	0.538	18	117.0710	0.574	31	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	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>}	O(N[6a]C[6a]2)(H)	118.0517	0.303	4	118.0517	0.092	4	117.2214	0.538	18	117.0710	0.574	31	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:	N[6a](C[6a]N[6a]O)2(OH)	C[6a](N[6a]C[6a]O)2(O)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]N[6a]O)2(OH){1|C<3>,2|O<2>}	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	O(N[6a]C[6a]2)(H)	116.1148	0.470	5	116.1148	0.221	5	116.1148	0.221	5	117.0710	0.574	31	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]O)(O)	O(N[6a]C[6,6a]C[6a])(CH3)	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>}	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>}	O(N[6a]C[6,6a]C[6a])(CH3)	115.6450	0.000	1	115.6450	0.000	1	115.6450	0.000	1	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	O(N[6a]C[6a,6a]C[6a])(CH3)	115.1980	0.000	1	115.8300	0.535	5	115.8300	0.535	5	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	O(N[6a]C[6a,6a]C[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	O(N[6a]C[6a,6a]C[6a])(CH3)	115.9880	0.739	4	115.8300	0.535	5	115.8300	0.535	5	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	O(N[6a]C[6a]2)(CH3)	116.1950	0.000	1	116.2587	0.082	4	115.7844	0.299	8	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	O(N[6a]C[6a]2)(CH3)	116.2800	0.347	3	116.2587	0.082	4	115.7844	0.299	8	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	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>}	O(N[6a]C[6a]2)(CCHH)	115.1780	0.000	1	115.1780	0.000	1	115.7844	0.299	8	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	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>}	O(N[6a]C[6a]2)(CH3)	115.4620	0.000	1	115.3540	0.011	3	115.7844	0.299	8	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|P<4>,2|C<3>}	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>}	O(N[6a]C[6a]2)(CH3)	115.3420	0.000	1	115.3540	0.011	3	115.7844	0.299	8	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	O(N[6a]C[6a]2)(CH3)	115.2580	0.000	1	115.3540	0.011	3	115.7844	0.299	8	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:Si-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H)	O(N[6a]C[6a]2)(SiC3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	O(N[6a]C[6a]2)(SiC3)	117.4130	0.000	1	117.4130	0.000	1	118.0765	0.880	2	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:Si-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H)	O(N[6a]C[6a]2)(SiC[6a]3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	O(N[6a]C[6a]2)(SiC[6a]3)	118.7400	0.000	1	118.7400	0.000	1	118.0765	0.880	2	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:Si-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(SiC3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	O(N[6a]C[6a]2)(SiC3)	116.4330	0.000	1	116.4330	0.000	1	115.9590	0.449	2	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:Si-4:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	O(N[6a]C[6a]2)(SiC[6a]3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	O(N[6a]C[6a]2)(SiC[6a]3)	115.4850	0.000	1	115.4850	0.000	1	115.9590	0.449	2	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:	N[6a](C[6a]N[6a]O)2(OC)	C[6a](N[6a]C[6a]O)2(O)	O(N[6a]C[6a]2)(CC[6a]HH)	N[6a](C[6a]N[6a]O)2(OC){1|C<3>,2|O<2>}	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	O(N[6a]C[6a]2)(CC[6a]HH)	116.0148	0.685	6	116.0148	0.469	6	116.0148	0.469	6	116.0512	0.744	24	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	Si[5]-5:N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H)	O(Si[5]O[5]2CC)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	O(Si[5]O[5]2CC)(N[6a]C[6a]2)	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	117.5715	11.708	2	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:1:	5:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	Si[5]-5:N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	O(Si[5]O[5]2CC)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	O(Si[5]O[5]2CC)(N[6a]C[6a]2)	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	117.5715	11.708	2	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	O(N[6a]C[6a]2)(H)	116.4505	0.090	2	116.4505	0.008	2	116.4505	0.008	2	116.4505	0.008	2	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]O)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	O(N[6a]C[6a]2)(CH3)	116.6867	0.322	3	116.6867	0.104	3	116.7752	0.101	4	117.0512	0.456	5	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]O)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	O(N[6a]C[6a]2)(CH3)	117.0410	0.000	1	117.0410	0.000	1	116.7752	0.101	4	117.0512	0.456	5	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO){1|O<1>,4|C<3>}	O(N[6a]C[6a]2)(CH3)	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	117.0512	0.456	5	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	O(N[6a]C[6a]2)(H)	115.3325	0.131	2	115.3325	0.017	2	115.3325	0.017	2	116.7617	0.754	14	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:H-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	O(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O(N[6a]C[6a]2)(H)	116.9999	0.675	12	116.9999	0.456	12	116.9999	0.456	12	116.7617	0.754	14	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>}	O(N[6a]C[6a]2)(CH3)	116.5750	0.000	1	116.5750	0.000	1	117.1427	0.242	3	117.1427	0.242	3	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH)	O(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH){1|O<1>,4|C<3>}	O(N[6a]C[6a]2)(CCHH)	117.3980	0.000	1	117.3980	0.000	1	117.1427	0.242	3	117.1427	0.242	3	116.7139	0.943	81	116.7212	0.880	88
217	643	893	0:SP2_SP2_SP3	N[6a]	C[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3)	O(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|P<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	O(N[6a]C[6a]2)(CH3)	117.4550	0.000	1	117.4550	0.000	1	117.1427	0.242	3	117.1427	0.242	3	116.7139	0.943	81	116.7212	0.880	88
217	643	899	0:SP2_SP-NON_SP2	N[6a]	C[6a]	C	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:C-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C){1|C<3>,1|C<4>,1|N<3>}	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>}	C(N[6a]C[6a]2)	117.1540	0.000	1	117.1540	0.000	1	117.1540	0.000	1	116.6335	0.542	2	116.6335	0.542	2	116.6335	0.542	2
217	643	899	0:SP2_SP-NON_SP2	N[6a]	C[6a]	C	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:C-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	C(N[6a]C[6a]2)	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	116.6335	0.542	2	116.6335	0.542	2	116.6335	0.542	2
217	643	914	0:SP2_SP2_SP2	N[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:C[6]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]N[6])(O)	N[6](N[6,6a]C[6,6a]C[6a])(C[6]O[6]H)	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>}	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](N[6,6a]C[6,6a]C[6a])(C[6]O[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	114.2390	0.000	1	114.2390	0.000	1	114.2390	0.000	1	114.9350	0.969	2	114.9350	0.969	2	114.9350	0.969	2
217	643	914	0:SP2_SP2_SP2	N[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](N[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	115.6310	0.000	1	115.6310	0.000	1	115.6310	0.000	1	114.9350	0.969	2	114.9350	0.969	2	114.9350	0.969	2
217	643	914	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	N[6]	3:3:2:	3:2:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6,6a]-3:C[6]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6])	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	N[6](N[6,6a]C[6,6a]C[6a])(C[6]O[6]H)	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>}	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	N[6](N[6,6a]C[6,6a]C[6a])(C[6]O[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	122.9950	0.000	1	122.9950	0.000	1	122.9950	0.000	1	122.9950	0.000	1	122.3830	0.749	2	122.3830	0.749	2
217	643	914	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6a]-3:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	122.3830	0.749	2	122.3830	0.749	2
217	643	927	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	125.1448	0.327	4	125.1448	0.107	4	125.1448	0.107	4	125.1448	0.107	4	125.1448	0.107	4	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	121.7550	0.000	1	121.7550	0.000	1	121.7550	0.000	1	121.7322	0.103	5	121.7322	0.103	5	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	121.7265	0.371	4	121.7265	0.138	4	121.7265	0.138	4	121.7322	0.103	5	121.7322	0.103	5	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]F)(H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4480	0.399	2	119.4480	0.159	2	119.4480	0.159	2	119.4480	0.159	2	119.8444	0.711	5	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a]	3:3:3:	3:3:1:	3:3:3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	120.7030	0.205	2	120.7030	0.042	2	120.7030	0.042	2	120.1087	1.081	3	119.8444	0.711	5	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	118.9200	0.000	1	118.9200	0.000	1	118.9200	0.000	1	120.1087	1.081	3	119.8444	0.711	5	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[5a,6a]-3:B[6,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-3:N[6]-3:	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]B[5a,6a]B[6,6a])(C[6a]C[6a]H)2	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](N[6a]B[5a,6a]B[6,6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|N<3>}	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	B[6a](N[6a]B[6a]C[6a])2(Cl)	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	B[6a](N[6a]B[6a]C[6a])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	120.0103	0.221	6	120.0103	0.049	6	120.0103	0.049	6	119.2949	1.645	29	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]2)	B[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]2){2|N<3>,3|C<3>,4|H<1>}	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	119.2019	1.385	12	119.2019	1.918	12	119.3070	1.314	18	119.2949	1.645	29	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	B[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){1|C<3>,2|N<3>,4|H<1>}	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	119.5172	0.410	6	119.5172	0.168	6	119.3070	1.314	18	119.2949	1.645	29	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:Br-1:	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br)	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br){1|C<4>,1|H<1>,5|C<3>}	117.4968	0.306	4	117.4968	0.094	4	117.4968	0.094	4	119.2949	1.645	29	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl){1|H<1>,6|C<3>}	121.9780	0.000	1	121.9780	0.000	1	121.9780	0.000	1	119.2949	1.645	29	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:2:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	B[6a](N[6a]B[6a]C[6a])2(OH)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	B[6a](N[6a]B[6a]C[6a])2(OH){1|N<3>,6|C<3>}	118.6835	0.631	2	118.6835	0.399	2	118.6835	0.399	2	118.6835	0.399	2	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,7|C<3>}	119.1200	0.649	2	119.1200	0.421	2	118.7538	1.081	22	119.2866	3.257	30	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){2|H<1>,2|N<3>,3|C<3>}	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,7|C<3>}	118.5030	1.468	2	118.7172	1.157	20	118.7538	1.081	22	119.2866	3.257	30	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]B[6a]2){2|H<1>,2|N<3>,3|C<3>}	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,8|C<3>}	118.7410	1.077	18	118.7172	1.157	20	118.7538	1.081	22	119.2866	3.257	30	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	116.2790	0.000	1	116.2790	0.000	1	116.2790	0.000	1	119.2866	3.257	30	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	119.1080	0.233	2	119.1080	0.054	2	120.3160	2.063	4	119.2866	3.257	30	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<4>,5|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	121.5240	0.546	2	121.5240	0.298	2	120.3160	2.063	4	119.2866	3.257	30	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<3>,3|C<4>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC){1|H<1>,2|C<3>,2|N<3>}	123.8990	1.247	2	123.8990	1.556	2	123.8990	1.556	2	119.2866	3.257	30	119.2708	2.360	61	119.8273	4.063	76
217	643	927	0:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	119.2866	3.257	30	119.2708	2.360	61	119.8273	4.063	76
217	643	927	6:SP2_SP2_SP2	N[3x6a]	C[3x6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	B[6a,6a]-3:B[6a,6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[3x6a]-3:	N[3x6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(N[3x6a]B[6a,6a]2)	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2){9|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(N[3x6a]B[6a,6a]2){2|H<1>,7|C<3>}	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,8|C<3>}	120.3483	0.504	3	120.3483	0.254	3	120.3483	0.254	3	120.3483	0.254	3	120.3483	0.254	3	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6])	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	123.4850	0.000	1	123.4850	0.000	1	124.0400	0.125	5	124.0400	0.125	5	124.0400	0.125	5	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6])	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,3|H<1>,4|C<3>}	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	124.1787	0.195	4	124.1787	0.038	4	124.0400	0.125	5	124.0400	0.125	5	124.0400	0.125	5	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	B[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6,6,6a]-3:C[6a,6a]-3:B[6]-3:	N[6,6a]-3:C[3x6a]-3:C[6a]-3:	N[6,6a]-3:N[6,6a]-3:B[3x6]-3:	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N)	C[6a,6a](N[6,6a]B[6,6,6a]B[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	B[6,6,6a](N[6,6a]C[6a,6a]B[6])2(B[3x6]N[6,6]2)	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	C[6a,6a](N[6,6a]B[6,6,6a]B[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|B<3>,2|N<3>,3|C<3>}	B[6,6,6a](N[6,6a]C[6a,6a]B[6])2(B[3x6]N[6,6]2){2|B<3>,2|N<3>,5|C<3>}	120.5220	0.000	1	120.5220	0.000	1	120.5220	0.000	1	120.5220	0.000	1	120.5220	0.000	1	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[3x6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]B[6a]2)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){10|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]B[6a]2){2|H<1>,7|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	118.7943	0.255	4	118.7943	0.065	4	118.7943	0.065	4	118.5007	0.249	7	118.5007	0.249	7	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[3x6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:B[6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2	C[3x6a](C[6a,6a]C[6a]2)2(N[6a,6a]B[6a]2)	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[3x6a](C[6a,6a]C[6a]2)2(N[6a,6a]B[6a]2){2|C<4>,2|H<1>,5|C<3>}	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	118.1093	0.497	3	118.1093	0.247	3	118.1093	0.247	3	118.5007	0.249	7	118.5007	0.249	7	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2)	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2{10|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,8|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	119.6490	0.337	3	119.6490	0.114	3	119.6490	0.114	3	120.0645	0.812	10	120.0645	0.812	10	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	122.0110	0.000	1	122.0110	0.000	1	122.0110	0.000	1	120.0645	0.812	10	120.0645	0.812	10	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)2	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.0645	0.812	10	120.0645	0.812	10	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	120.0645	0.812	10	120.0645	0.812	10	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	119.5005	0.712	2	119.5005	0.507	2	119.5005	0.507	2	120.0645	0.812	10	120.0645	0.812	10	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6a,6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[6a,6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.6140	0.099	2	119.6140	0.010	2	119.6140	0.010	2	120.0645	0.812	10	120.0645	0.812	10	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.5000	0.240	2	121.5000	0.058	2	121.5000	0.058	2	121.5000	0.058	2	121.5926	0.562	5	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	121.0575	0.155	2	121.0575	0.024	2	121.0575	0.024	2	121.6543	1.081	3	121.5926	0.562	5	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	122.8480	0.000	1	122.8480	0.000	1	122.8480	0.000	1	121.6543	1.081	3	121.5926	0.562	5	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6,6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6,6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a,6a]-3:	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2)	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	119.1675	0.357	2	119.1675	0.128	2	119.1675	0.128	2	119.1675	0.128	2	119.1675	0.128	2	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.4120	0.000	1	118.4120	0.000	1	118.4120	0.000	1	120.7260	0.975	17	120.7260	0.975	17	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Br)2	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|Br<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Br)2{2|C<3>,4|H<1>}	121.3540	0.105	2	121.3540	0.011	2	121.0321	0.261	15	120.7260	0.975	17	120.7260	0.975	17	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	120.8143	0.553	4	120.8143	0.306	4	121.0321	0.261	15	120.7260	0.975	17	120.7260	0.975	17	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)2	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,4|H<1>}	120.9057	0.386	3	120.9057	0.149	3	121.0321	0.261	15	120.7260	0.975	17	120.7260	0.975	17	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2{2|C<3>,4|H<1>}	121.1835	0.402	4	121.1835	0.162	4	121.0321	0.261	15	120.7260	0.975	17	120.7260	0.975	17	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|I<1>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,4|H<1>}	121.0325	1.184	2	121.0325	1.403	2	121.0321	0.261	15	120.7260	0.975	17	120.7260	0.975	17	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:B[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	120.7260	0.975	17	120.7260	0.975	17	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a,6a]	3:3:1:	3:3:3:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2{2|H<1>,4|C<3>}	121.7405	0.157	6	121.7405	0.025	6	121.7405	0.025	6	122.2401	0.917	8	120.5571	2.502	20	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6a,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H){2|H<1>,6|C<3>}	123.7390	0.552	2	123.7390	0.304	2	123.7390	0.304	2	122.2401	0.917	8	120.5571	2.502	20	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a,6a]	3:3:4:	3:3:3:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2{2|C<4>,4|C<3>}	119.0067	0.215	6	119.0067	0.046	6	119.0067	0.046	6	119.4351	0.305	12	120.5571	2.502	20	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	B[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]C)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	B[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]C)2{6|C<3>}	119.8635	0.430	6	119.8635	0.185	6	119.8635	0.185	6	119.4351	0.305	12	120.5571	2.502	20	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(Cl)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(Cl){3|C<3>}	121.3835	0.057	2	121.3835	0.003	2	121.3835	0.003	2	121.3835	0.003	2	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){2|O<2>,4|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH){1|O<2>,4|C<3>}	122.9990	0.000	1	122.9990	0.000	1	122.9990	0.000	1	124.6633	0.735	6	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|H<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi){1|H<1>,4|C<3>}	124.4700	0.000	1	124.4700	0.000	1	124.4700	0.000	1	124.6633	0.735	6	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>,3|H<1>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a]){1|H<1>,2|C<3>}	125.1277	0.047	4	125.1277	0.002	4	125.1277	0.002	4	124.6633	0.735	6	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[5]-3:N[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](C[5]C[5,5,6]C[5])(N[6a]C[6a,6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	B[6a](C[5]C[5,5,6]C[5])(N[6a]C[6a,6a]H)2{1|H<1>,2|C<4>,5|C<3>}	122.9977	0.542	4	122.9977	0.294	4	122.9977	0.294	4	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|O<2>,6|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){1|O<2>,5|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	125.4029	0.751	12	125.4029	0.564	12	125.4029	0.564	12	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:B[5]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(B[5]O[5]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(B[5]O[5]2){2|C<4>,3|C<3>}	123.4710	0.429	2	123.4710	0.184	2	123.4710	0.184	2	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:B[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H){2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2){2|H<1>,5|C<3>}	123.9920	0.121	4	123.9920	0.015	4	123.9920	0.015	4	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CB[5]C){3|C<3>}	123.4585	0.853	2	123.4585	0.728	2	123.7070	0.197	14	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C){3|C<3>}	123.9342	0.577	4	123.9342	0.333	4	123.7070	0.197	14	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CCC)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CCC){3|C<3>}	123.6250	0.525	2	123.6250	0.275	2	123.7070	0.197	14	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CCH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CCH){3|C<3>}	123.7520	0.242	2	123.7520	0.058	2	123.7070	0.197	14	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	123.6225	0.204	4	123.6225	0.042	4	123.7070	0.197	14	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	123.8313	0.223	6	123.8313	0.050	6	123.8313	0.050	6	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:P-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(PB[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(PB[6a]2){3|C<3>}	123.2125	0.520	2	123.2125	0.270	2	123.3852	0.167	8	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:P-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(PB[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(PB[6a]C[6a]){3|C<3>}	123.5800	0.444	4	123.5800	0.197	4	123.3852	0.167	8	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:P-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2){3|C<3>}	123.1685	0.026	2	123.1685	0.001	2	123.3852	0.167	8	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|S<2>,2|H<1>,3|C<3>}	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	126.1630	0.000	1	126.1630	0.000	1	126.0222	0.162	4	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|S<2>,2|H<1>,3|C<3>}	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|B<3>,1|S<2>,2|H<1>,5|C<3>}	126.2220	0.310	2	125.9753	0.230	3	126.0222	0.162	4	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|S<2>,2|H<1>,3|C<3>}	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	125.4820	0.000	1	125.9753	0.230	3	126.0222	0.162	4	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	124.7190	0.000	1	124.7190	0.000	1	125.1044	0.096	5	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	125.2007	0.256	4	125.2007	0.066	4	125.1044	0.096	5	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	124.9840	0.000	1	125.1212	0.153	6	125.0961	0.211	8	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	125.1486	0.430	5	125.1212	0.153	6	125.0961	0.211	8	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|B<3>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H){2|O<2>,3|C<3>,3|H<1>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.4300	0.000	1	124.4300	0.000	1	125.0961	0.211	8	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|Cl<1>,2|H<1>,6|C<3>}	125.6120	0.000	1	125.6120	0.000	1	125.0961	0.211	8	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<1>,4|C<3>}	122.8820	0.000	1	122.8820	0.000	1	122.8820	0.000	1	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]B[6a]H){2|H<1>,6|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	125.7500	0.000	1	125.7500	0.000	1	125.7500	0.000	1	124.3582	1.085	69	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	123.2865	0.307	16	123.2865	0.094	16	123.3352	0.098	24	123.3095	0.140	30	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CCHH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CCHH){3|C<3>}	123.4062	0.318	6	123.4062	0.101	6	123.3352	0.098	24	123.3095	0.140	30	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CN[6]CH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CN[6]CH){3|C<3>}	123.5125	0.449	2	123.5125	0.202	2	123.3352	0.098	24	123.3095	0.140	30	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:C[5]-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	123.8270	0.532	2	123.8270	0.283	2	123.8270	0.283	2	123.3095	0.140	30	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:P-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2Mo)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2Mo){3|C<3>}	122.8965	0.307	4	122.8965	0.094	4	122.8965	0.094	4	123.3095	0.140	30	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6]-4:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6]C[6]2Cr)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,2|C<3>,3|H<1>}	B[6a](N[6a]C[6a,6a]H)(C[6]C[6]2Cr)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	124.1490	0.000	1	124.1490	0.000	1	124.1490	0.000	1	124.1490	0.000	1	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:1:	3:3:3:	4:3:3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6]-4:N[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](C[6]C[6,6]B[5]C[6])(N[6a]C[6a,6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[6a](C[6]C[6,6]B[5]C[6])(N[6a]C[6a,6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	124.5595	0.319	2	124.5595	0.102	2	124.5595	0.102	2	124.5595	0.102	2	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]N)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]N){2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2){3|H<1>,6|C<3>}	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl){1|H<1>,6|C<3>}	120.9970	0.000	1	120.9970	0.000	1	120.9970	0.000	1	120.9970	0.000	1	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,6|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3){3|C<4>,4|C<3>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl){1|H<1>,3|C<4>,4|C<3>}	114.5680	0.000	1	114.5680	0.000	1	114.5680	0.000	1	114.5680	0.000	1	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>,3|H<1>}	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a]){1|H<1>,4|C<3>}	122.1050	0.297	2	122.1050	0.088	2	122.0147	0.069	3	122.0147	0.069	3	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>,3|H<1>}	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	121.8340	0.000	1	121.8340	0.000	1	122.0147	0.069	3	122.0147	0.069	3	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]C)	B[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])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	120.4990	8.397	3	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|C<4>,2|H<1>,3|C<3>}	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.8130	0.000	1	121.8130	0.000	1	121.8130	0.000	1	120.4990	8.397	3	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	B[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|C<3>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	120.4990	8.397	3	123.7953	2.369	120	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:1:	3:3:1:	3:3:2:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-2:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	123.1093	0.406	3	123.1093	0.165	3	123.1093	0.165	3	122.7452	0.640	4	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:1:	3:3:1:	3:3:2:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	122.7452	0.640	4	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:1:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]H)(O)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	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>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<1>,4|C<3>}	125.2380	0.000	1	125.2380	0.000	1	125.2380	0.000	1	124.6502	0.273	4	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:1:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O)	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	124.4543	0.423	3	124.4543	0.179	3	124.4543	0.179	3	124.6502	0.273	4	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:1:	3:3:1:	4:3:3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:1:	3:3:3:	3:3:3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){3|H<1>,4|C<3>}	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	125.9370	0.088	2	125.9370	0.008	2	125.9370	0.008	2	125.9370	0.008	2	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]B[6a]C[6a])2(H)	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<4>,5|C<3>}	C[6a](N[6a]B[6a]C[6a])2(H){7|C<3>}	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	122.5025	0.419	2	122.5025	0.176	2	122.5025	0.176	2	122.0653	0.398	4	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]B[6a]C[6a])2(H)	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<3>,3|C<4>}	C[6a](N[6a]B[6a]C[6a])2(H){2|N<3>,5|C<3>}	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC){1|H<1>,2|C<3>,2|N<3>}	121.6280	0.503	2	121.6280	0.253	2	121.6280	0.253	2	122.0653	0.398	4	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:4:	3:3:1:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:Br-1:	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br)	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3){1|Br<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br){1|C<4>,1|H<1>,5|C<3>}	120.1475	0.380	4	120.1475	0.145	4	120.1475	0.145	4	120.1475	0.145	4	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:4:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3){5|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	122.3223	0.033	3	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:3:	3:3:4:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	122.3385	0.255	2	122.3385	0.065	2	122.3385	0.065	2	122.3223	0.033	3	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-2:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|C<3>,2|H<1>}	119.4530	0.000	1	119.4530	0.000	1	119.4530	0.000	1	119.8696	0.638	5	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	120.6250	0.354	2	120.6250	0.125	2	119.9737	0.778	4	119.8696	0.638	5	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6])	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6]){1|C<3>,2|H<1>}	118.8160	0.000	1	118.8160	0.000	1	119.9737	0.778	4	119.8696	0.638	5	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.9737	0.778	4	119.8696	0.638	5	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){3|C<3>,4|H<1>}	121.6805	0.224	2	121.6805	0.050	2	122.0169	0.319	9	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.5990	0.284	2	121.5990	0.081	2	122.0169	0.319	9	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	122.9530	0.000	1	122.9530	0.000	1	122.0169	0.319	9	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.6950	0.049	2	121.6950	0.002	2	122.0169	0.319	9	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	122.6250	0.136	2	122.6250	0.018	2	122.0169	0.319	9	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH){1|C<3>,2|H<1>}	121.2850	0.000	1	121.2850	0.000	1	121.2850	0.000	1	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2){1|C<3>,2|H<1>}	117.6315	0.097	2	117.6315	0.009	2	117.6315	0.009	2	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O)	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	122.0580	0.097	3	122.0580	0.009	3	122.0580	0.009	3	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:3:	B[6a]-3:C[6a]-3:Si-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3)	C[6a](N[6a]B[6a]Si)(C[6a]C[6a]H)(H)	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3){2|H<1>,3|C<3>}	C[6a](N[6a]B[6a]Si)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	118.3480	0.000	1	118.3480	0.000	1	118.3480	0.000	1	121.2014	2.960	16	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:4:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H){1|C<3>,2|H<1>}	120.8695	0.197	2	120.8695	0.039	2	120.8695	0.039	2	120.6617	0.149	3	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:1:	3:3:4:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:P-4:	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3)	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|P<4>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3){1|C<3>,2|H<1>}	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	120.6617	0.149	3	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:4:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3){1|H<1>,2|C<3>}	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	119.0775	0.450	2	119.0775	0.203	2	119.0157	0.113	3	119.0157	0.113	3	121.5841	3.841	49	122.4048	4.782	239
217	643	927	6:SP2_SP2_SP2	N[6a]	C[6a]	B[6a]	3:3:4:	3:3:4:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3){1|Rh<6>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	118.8920	0.000	1	118.8920	0.000	1	119.0157	0.113	3	119.0157	0.113	3	121.5841	3.841	49	122.4048	4.782	239
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:O-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	C(N[6a]C[6a,6a]2)(OC)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(OC)(O)	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	118.8365	0.425	4	119.6680	4.113	7	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:O-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(N[6a]C[6a,6a]2)(OC)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]2)(OC)(O)	119.5830	0.000	1	119.5830	0.000	1	119.5830	0.000	1	118.8365	0.425	4	119.6680	4.113	7	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:O-2:O-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a,6a]C[6a])(OC)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC)(O)	118.2900	0.027	2	118.2900	0.001	2	118.2900	0.001	2	118.8365	0.425	4	119.6680	4.113	7	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	122.8120	0.000	1	122.8120	0.000	1	122.4440	0.271	2	122.4440	0.271	2	119.6680	4.113	7	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	122.0760	0.000	1	122.0760	0.000	1	122.4440	0.271	2	122.4440	0.271	2	119.6680	4.113	7	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	119.6680	4.113	7	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N-3:N-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	C(N[6a]C[6a]N[6a])(NCH)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	C(N[6a]C[6a]N[6a])(NCH)2	124.1070	0.000	1	124.1070	0.000	1	124.1070	0.000	1	124.1070	0.000	1	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C(N[6a]C[5a,6a]C[6a])(H)2	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH){4|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	C(N[6a]C[5a,6a]C[6a])(H)2	119.4570	0.000	1	119.4570	0.000	1	119.4570	0.000	1	117.6727	4.414	3	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH){3|C<3>}	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>}	C(N[6a]C[6a]2)(H)2	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	117.6727	4.414	3	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:H-1:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	C(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH){3|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	C(N[6a]C[6a]2)(H)2	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	117.6727	4.414	3	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:O-2:O-1:	N[6a](C[6a]C[6a,6a]O)2(COO)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C(N[6a]C[6a]2)(OC)(O)	N[6a](C[6a]C[6a,6a]O)2(COO){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C(N[6a]C[6a]2)(OC)(O)	116.4980	0.532	2	116.4980	0.283	2	116.4980	0.283	2	116.4980	0.283	2	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	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>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	114.3430	0.000	1	114.3430	0.000	1	114.7220	0.287	2	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	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>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	115.1010	0.000	1	115.1010	0.000	1	114.7220	0.287	2	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C(N[6a]C[6a]2)(CC[5]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	C(N[6a]C[6a]2)(CC[5]H)(H)	120.2810	0.419	4	120.2810	0.176	4	120.2810	0.176	4	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:C[6]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	121.0740	0.000	1	121.0740	0.000	1	121.0740	0.000	1	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	C[5a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(O)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(O)	117.0420	0.000	1	117.0420	0.000	1	117.0420	0.000	1	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	117.4020	0.000	1	117.3570	0.395	5	117.3207	0.716	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	117.3458	0.725	4	117.3570	0.395	5	117.3207	0.716	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	116.8660	0.000	1	116.8660	0.000	1	117.3207	0.716	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	117.1885	1.246	4	117.1885	1.552	4	117.3207	0.716	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	118.1230	0.000	1	118.1230	0.000	1	117.3207	0.716	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[5a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(O)	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	115.9310	0.000	1	116.1260	0.076	2	116.1014	0.816	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	116.3210	0.000	1	116.1260	0.076	2	116.1014	0.816	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C)2(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	116.0545	0.725	2	116.0545	0.525	2	116.1014	0.816	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	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>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	116.5080	0.000	1	116.2710	0.112	2	116.1014	0.816	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	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>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	116.0340	0.000	1	116.2710	0.112	2	116.1014	0.816	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	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>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	116.4460	1.713	3	116.1010	2.432	4	116.1014	0.816	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	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>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	115.0660	0.000	1	116.1010	2.432	4	116.1014	0.816	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<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>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(O)	115.8080	0.000	1	115.8080	0.000	1	116.1014	0.816	11	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(N[6a]C[6a]2)(CC[5]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]2)(CC[5]H)(H)	118.3047	0.698	4	118.3047	0.487	4	117.7539	7.844	10	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:H-1:	N[6a](C[6a]N[6a]O)2(CCH)	C[6a](N[6a]C[6a]C)2(O)	C(N[6a]C[6a]2)(CC[6a]H)(H)	N[6a](C[6a]N[6a]O)2(CCH){3|C<3>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	C(N[6a]C[6a]2)(CC[6a]H)(H)	117.3867	3.664	6	117.3867	13.422	6	117.7539	7.844	10	117.2990	4.139	42	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	119.3562	9.351	17	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	119.3562	9.351	17	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]2)(CC[6a]H)(COO)	120.5660	0.000	1	120.5660	0.000	1	120.5660	0.000	1	119.3562	9.351	17	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a]H)2(CN[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C(N[6a]C[6a]2)2(CC[6a]H)	N[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]2)2(CC[6a]H)	120.2410	0.362	4	120.2410	0.131	4	120.2410	0.131	4	119.3562	9.351	17	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C(N[6a]C[6a]2)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	C(N[6a]C[6a]2)3	123.6295	0.371	4	123.6295	0.138	4	123.6295	0.138	4	119.3562	9.351	17	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	119.3562	9.351	17	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:C-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CC[6a]H)(COO)	116.2190	0.000	1	116.2190	0.000	1	116.2190	0.000	1	119.3562	9.351	17	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C(N[6a]C[6a]2)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)3	115.6257	0.168	4	115.6257	0.028	4	115.6257	0.028	4	119.3562	9.351	17	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:C-4:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	C(N[6a]C[6a]2)(CCHH)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	C(N[6a]C[6a]2)(CCHH)(O)	115.6767	0.193	3	115.6767	0.037	3	115.6767	0.037	3	119.7132	19.575	6	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-4:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C(N[6a]C[6a]2)(CCHH)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]2)(CCHH)(O)	123.7497	0.145	3	123.7497	0.021	3	123.7497	0.021	3	119.7132	19.575	6	118.1312	7.543	73	118.2657	7.378	80
217	643	930	0:SP2_SP2_SP2	N[6a]	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:O-2:O-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	C(N[6a]C[6a,6a]C[6a])(OC)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC)(O)	119.7835	0.185	2	119.7835	0.034	2	119.7835	0.034	2	119.7835	0.034	2	118.1312	7.543	73	118.2657	7.378	80
217	643	933	6:SP2_SP2_SP2	N[6a]	C[6a]	O[6a]	3:2:1:	3:3:1:	3:3:	C[6a]-3:O[6a]-2:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	B[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a]H)(O)	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H){1|O<2>,2|C<3>}	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>}	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	126.1240	0.000	1	126.1240	0.000	1	126.1240	0.000	1	126.1240	0.000	1	126.1240	0.000	1	126.1240	0.000	1
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	N	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:B[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]N)	N(N[6a]C[6a,6a]B[6a])(NC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]N){2|H<1>,4|C<3>}	N(N[6a]C[6a,6a]B[6a])(NC[6a])	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	2:3:4:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N(N[6a]C[6a]2)(CC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]H)	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	2:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:S-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N(N[6a]C[6a]2)(SC[6a]CO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N(N[6a]C[6a]2)(SC[6a]CO)	118.9305	0.409	2	118.9305	0.168	2	118.9305	0.168	2	118.9305	0.168	2	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]C)	120.7115	2.659	2	120.7115	7.073	2	120.5590	3.574	4	120.5590	3.574	4	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N(N[6a]C[6a]2)(CC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N(N[6a]C[6a]2)(CC[6a]H)	120.4065	1.886	2	120.4065	3.556	2	120.5590	3.574	4	120.5590	3.574	4	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-3:N[6a]-2:S-2:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N(N[6a]C[6a]2)(CCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC){1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N(N[6a]C[6a]2)(CCC)	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(N[6a]C[6a]2)(CC[5a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N(N[6a]C[6a]2)(CC[5a]H)	115.5550	0.000	1	115.5550	0.000	1	116.0503	0.718	3	116.0503	0.718	3	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[6a]-3:N-2:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N(N[6a]C[6a]2)(CC[6a]C)	116.2980	1.034	2	116.2980	1.069	2	116.0503	0.718	3	116.0503	0.718	3	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC){2|C<3>}	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(N[6a]C[6a]2)(CC[6a]H)	120.3680	0.000	1	120.3680	0.000	1	120.3680	0.000	1	118.4457	3.571	9	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	N(N[6a]C[6a]2)(CC[6a]C)	116.7560	2.718	2	116.7560	7.388	2	117.1467	3.517	4	118.4457	3.571	9	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	N(N[6a]C[6a]2)(CC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	N(N[6a]C[6a]2)(CC[6a]H)	117.5375	1.597	2	117.5375	2.552	2	117.1467	3.517	4	118.4457	3.571	9	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CC[5a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	N(N[6a]C[6a]2)(CC[5a]H)	121.0240	0.000	1	121.0240	0.000	1	119.2640	1.631	4	118.4457	3.571	9	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CC[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	N(N[6a]C[6a]2)(CC[6a]C)	119.0150	0.279	2	119.0150	0.078	2	119.2640	1.631	4	118.4457	3.571	9	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:C-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(CCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	N(N[6a]C[6a]2)(CCC)	118.0020	0.000	1	118.0020	0.000	1	119.2640	1.631	4	118.4457	3.571	9	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[6a]-3:H-1:	N[6a]-3:S-4:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H)	N(N[6a]C[6a]2)(SC[6a]OO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS){3|C<3>}	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(N[6a]C[6a]2)(SC[6a]OO)	118.8350	0.000	1	118.8350	0.000	1	118.8350	0.000	1	118.5710	0.065	3	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:S-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N(N[6a]C[6a]2)(SC[6a]CO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS){2|C<3>}	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(N[6a]C[6a]2)(SC[6a]CO)	118.4390	0.163	2	118.4390	0.026	2	118.4390	0.026	2	118.5710	0.065	3	118.4521	3.810	24	118.2110	5.104	25
217	643	941	0:SP2_SP2_SP2	N[6a]	C[6a]	N	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:S-4:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH)	N(N[6a]C[6a]2)(SC[6a]OO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS){3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	N(N[6a]C[6a]2)(SC[6a]OO)	118.4340	0.000	1	118.4340	0.000	1	118.4340	0.000	1	118.4340	0.000	1	118.4521	3.810	24	118.2110	5.104	25
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	H(N[6a]C[6,6a]C[6a])	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H){3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	H(N[6a]C[6,6a]C[6a])	117.3723	0.096	3	117.3723	0.009	3	117.3723	0.009	3	117.3723	0.009	3	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H)	H(N[6a]C[6,6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(N[6a]C[6,6a]C[6a])	121.9968	0.825	4	121.9968	0.681	4	121.9968	0.681	4	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H)	H(N[6a]C[6,6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<1>,4|C<3>}	C[6,6a](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>}	H(N[6a]C[6,6a]C[6a])	117.7790	0.000	1	117.7790	0.000	1	117.7790	0.000	1	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H)	H(N[6a]C[6,6a]C[6a])	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>}	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>}	H(N[6a]C[6,6a]C[6a])	120.6840	0.000	2	120.6840	0.000	2	120.6840	0.000	2	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H)	H(N[6a]C[6,6a]C[6a])	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>}	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>}	H(N[6a]C[6,6a]C[6a])	118.5830	0.000	1	118.5830	0.000	1	120.8318	5.141	6	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H)	H(N[6a]C[6,6a]C[6a])	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>}	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>}	H(N[6a]C[6,6a]C[6a])	117.7680	0.000	1	117.7680	0.000	1	120.8318	5.141	6	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H)	H(N[6a]C[6,6a]C[6a])	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>}	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>}	H(N[6a]C[6,6a]C[6a])	122.1600	1.184	4	122.1600	1.401	4	120.8318	5.141	6	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(N[6]C[6]Ru)	H(N[6a]C[6,6a]C[6a])	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>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(N[6]C[6]Ru){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6,6a]C[6a])	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:N[6a]-3:C[6]-3:	N[6a]-3:	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H)	H(N[6a]C[6,6a]C[6a])	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[6,6a](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>}	H(N[6a]C[6,6a]C[6a])	118.4180	0.000	1	118.4180	0.000	1	118.4180	0.000	1	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H)	H(N[6a]C[6a,6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(N[6a]C[6a,6a]C[6,6a])	118.3570	0.035	2	118.3570	0.001	2	118.5157	0.042	4	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H)	H(N[6a]C[6a,6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(N[6a]C[6a,6a]C[6,6a])	118.6745	0.158	2	118.6745	0.025	2	118.5157	0.042	4	120.1023	4.003	19	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH)	H(N[6a]C[6,6a]C[6a])	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>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(N[6a]C[6,6a]C[6a])	118.6280	0.000	1	118.6280	0.000	1	117.9095	1.032	2	117.9095	1.032	2	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH)	H(N[6a]C[6,6a]C[6a])	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>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(N[6a]C[6,6a]C[6a])	117.1910	0.000	1	117.1910	0.000	1	117.9095	1.032	2	117.9095	1.032	2	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6,6a]	H	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N[6a]-3:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H)	H(N[6a]C[6,6a]C[6a])	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>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6,6a]C[6a])	117.5364	0.154	7	117.5364	0.024	7	117.5364	0.024	7	117.5364	0.024	7	119.1172	4.041	31	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]H)	H(N[6a]C[6a,6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]H){1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]N[6a])	117.6660	0.120	2	117.6660	0.014	2	117.6660	0.014	2	117.6660	0.014	2	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	117.6660	0.000	1	117.6660	0.000	1	117.6660	0.000	1	117.6660	0.000	1	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	H(N[6a]C[6a,6a]2)	120.1190	0.897	2	120.1190	0.804	2	120.1190	0.804	2	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	H(N[6a]C[6a,6a]2)	117.9720	0.000	1	117.8705	0.021	2	117.5222	0.665	8	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,1|S<2>,4|C<3>}	H(N[6a]C[6a,6a]2)	117.7690	0.000	1	117.8705	0.021	2	117.5222	0.665	8	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	115.9910	0.000	1	115.9910	0.000	1	117.5222	0.665	8	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	H(N[6a]C[6a,6a]2)	118.0510	0.945	2	118.0147	0.450	3	117.5222	0.665	8	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,4|C<3>}	H(N[6a]C[6a,6a]2)	117.9420	0.000	1	118.0147	0.450	3	117.5222	0.665	8	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	H(N[6a]C[6a,6a]2)	117.2010	0.464	2	117.2010	0.215	2	117.5222	0.665	8	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|N<2>}	H(N[6a]C[6a,6a]C[6a])	119.0840	0.000	1	119.0840	0.000	1	119.0840	0.000	1	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|N<2>}	H(N[6a]C[6a,6a]C[6a])	119.9250	0.000	1	119.9250	0.000	1	119.9250	0.000	1	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.2560	0.000	1	117.2560	0.000	1	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.7600	0.000	1	116.7600	0.000	1	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	H(N[6a]C[6a,6a]C[6a])	117.3420	0.000	1	117.5674	0.102	7	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.3820	0.000	1	117.5674	0.102	7	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.6496	0.350	5	117.5674	0.102	7	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	116.6525	1.723	2	117.5595	2.271	4	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	118.9920	0.000	1	117.5595	2.271	4	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|O<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.9410	0.000	1	117.5595	2.271	4	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|N<3>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	119.7830	1.711	7	119.7830	2.927	7	118.2853	2.620	20	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,4|N<2>}	H(N[6a]C[6a,6a]C[6a])	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1	118.2751	2.190	33	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	B[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]B[6a,6a]C[6a,6a])	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	H(N[6a]B[6a,6a]C[6a,6a])	119.1386	0.090	5	119.1386	0.008	5	119.1386	0.008	5	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[5a,6a]C[6a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[5a,6a]C[6a,6a])	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]B[6a,6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6a,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(N[6a]B[6a,6a]C[6a,6a])	111.8985	3.812	2	111.8985	14.531	2	111.8985	14.531	2	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H){2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.9860	0.039	4	117.9860	0.002	4	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|O<2>,6|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){1|O<2>,5|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.2490	0.374	11	117.2490	0.140	11	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]O)(N[6a]B[6a]H){2|O<2>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.5040	0.000	1	118.5040	0.000	1	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	115.6720	1.892	6	115.6720	3.578	6	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	115.5650	2.113	2	115.5650	4.464	2	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	116.1707	3.713	23	116.0710	9.415	37	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	115.9071	1.640	14	116.0710	9.415	37	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	118.4818	0.273	4	117.0935	5.426	6	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	114.3170	1.945	2	117.0935	5.426	6	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.7405	0.166	2	117.7405	0.028	2	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	114.9470	1.826	2	114.9470	3.333	2	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<3>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	114.3009	1.464	8	114.8180	2.067	12	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	115.8522	0.662	4	114.8180	2.067	12	116.2136	5.912	83	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	116.9830	0.177	4	116.9830	0.031	4	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.6780	0.000	1	117.6780	0.000	1	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	117.1555	3.446	4	117.1555	11.878	4	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	113.9290	0.000	1	113.9290	0.000	1	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]B[6a]H){2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]B[6a])	116.8865	1.049	6	116.8865	1.100	6	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|B<3>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B[5])(N[6a]B[6a]H){2|O<2>,3|C<3>,3|H<1>}	H(N[6a]C[6a,6a]B[6a])	117.7640	0.000	1	117.7640	0.000	1	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]B[6a])	113.7720	0.000	1	113.7720	0.000	1	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]B[6a])	117.9360	0.000	1	117.9360	0.000	1	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]B[6a])	118.5990	0.000	1	118.5990	0.000	1	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]B[6a])	117.4608	0.046	4	117.4608	0.002	4	116.9748	2.894	24	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]B[6a]H)	H(N[6a]C[6a,6a]B[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]B[6a]H){2|H<1>,6|C<3>}	H(N[6a]C[6a,6a]B[6a])	116.0050	0.000	1	116.0050	0.000	1	116.0050	0.000	1	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[5,6a])	120.3270	1.088	2	120.3270	1.183	2	120.3270	1.183	2	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6,6a])	118.5140	0.276	4	118.5140	0.076	4	118.5140	0.076	4	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	H(N[6a]C[6a,6a]2)	118.3447	2.248	3	118.3447	5.053	3	118.3447	5.053	3	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]2)	117.9490	0.000	1	117.9490	0.000	1	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]2)	119.6345	2.815	2	119.6345	7.924	2	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]2)	118.8040	0.697	2	118.9023	0.272	3	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	119.0990	0.000	1	118.9023	0.272	3	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|As<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	116.1238	0.373	4	115.6984	0.105	16	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|As<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	115.5567	0.131	12	115.6984	0.105	16	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(N[6a]C[6a,6a]2)	118.8320	0.000	1	118.7455	0.015	2	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	H(N[6a]C[6a,6a]2)	118.6590	0.000	1	118.7455	0.015	2	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(N[6a]C[6a,6a]2)	120.1780	5.583	2	118.9772	9.341	5	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	H(N[6a]C[6a,6a]2)	118.3690	0.000	1	118.9772	9.341	5	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	118.0805	1.153	2	118.9772	9.341	5	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	117.0920	5.443	2	118.7924	4.768	11	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	121.7920	0.000	1	118.7924	4.768	11	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	118.8751	0.729	7	118.7924	4.768	11	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	118.6140	0.000	1	118.7924	4.768	11	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	118.4310	0.000	1	118.4310	0.000	1	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]2)	118.2590	0.024	2	118.2590	0.001	2	117.6545	4.658	43	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	121.9560	0.000	1	121.4050	0.607	2	119.3606	2.639	7	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	120.8540	0.000	1	121.4050	0.607	2	119.3606	2.639	7	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.8015	0.853	4	118.8015	0.728	4	119.3606	2.639	7	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.5080	0.000	1	117.5080	0.000	1	119.3606	2.639	7	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	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>}	H(N[6a]C[6a,6a]C[6a])	121.9020	0.000	1	121.9020	0.000	1	121.9020	0.000	1	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){4|C<3>,4|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.9210	0.000	1	118.9210	0.000	1	118.9210	0.000	1	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[3x6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	H(N[6a]C[6a,6a]C[6a])	123.9430	0.000	1	123.9430	0.000	1	123.9430	0.000	1	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	113.6090	0.000	1	113.6090	0.000	1	117.1337	9.550	3	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.4140	0.000	1	118.4140	0.000	1	117.1337	9.550	3	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.3780	0.000	1	119.3780	0.000	1	117.1337	9.550	3	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.7130	0.065	2	117.7130	0.004	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.6050	0.775	3	117.6050	0.600	3	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<2>,1|S<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	116.5440	0.000	1	116.5440	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.3620	0.000	1	118.3620	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.1470	0.000	1	117.1470	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	116.6130	0.000	1	116.6130	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	120.2000	0.000	1	118.4068	1.716	10	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.5043	2.130	3	118.4068	1.716	10	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.5965	0.019	2	118.4068	1.716	10	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.2190	0.361	2	118.4068	1.716	10	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.7600	0.000	1	118.4068	1.716	10	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.9640	0.000	1	118.4068	1.716	10	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.1440	0.000	1	116.1440	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	120.6370	0.000	1	119.1697	1.310	6	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.9210	0.000	1	119.1697	1.310	6	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.1870	0.000	1	119.1697	1.310	6	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.0760	0.000	1	119.1697	1.310	6	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.9540	0.000	1	119.1697	1.310	6	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|Cl<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.2430	0.000	1	119.1697	1.310	6	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.8200	0.000	1	120.1907	11.792	4	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	122.7195	0.695	2	120.1907	11.792	4	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	115.5040	0.000	1	120.1907	11.792	4	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.2285	0.046	2	119.2285	0.002	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.8370	0.000	1	119.1280	0.338	4	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.1190	0.180	2	119.1280	0.338	4	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,4|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.4370	0.000	1	119.1280	0.338	4	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|Cl<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.8160	0.000	1	118.8160	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.5327	0.273	3	118.5327	0.075	3	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.8660	0.000	1	117.8660	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.5820	0.000	1	116.3420	3.075	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	115.1020	0.000	1	116.3420	3.075	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	120.8200	0.000	1	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.8520	1.091	4	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.2070	0.000	1	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.4570	0.000	1	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	116.2770	0.000	1	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.2090	1.185	2	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.1707	1.754	6	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.4205	1.493	8	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.5726	1.477	5	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.9260	0.000	1	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.1730	1.433	2	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.5810	0.000	1	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.5780	0.123	7	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|P<3>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	113.8570	0.000	1	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.3560	1.346	2	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.1026	2.432	5	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.6506	0.946	8	117.8754	2.303	56	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	121.1280	0.000	1	119.6190	4.554	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.1100	0.000	1	119.6190	4.554	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.5100	1.305	2	117.5100	1.704	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.0900	0.000	1	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	120.0740	2.130	3	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.2150	0.000	1	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.3762	1.114	5	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.8150	0.000	1	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.5960	0.000	1	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.5900	0.000	1	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.2560	0.836	8	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	123.4290	0.000	1	118.6766	2.576	22	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<3>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.8690	0.000	1	118.8690	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	118.9370	0.000	1	119.1165	0.064	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.2960	0.000	1	119.1165	0.064	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.2475	0.387	2	119.2475	0.150	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.0397	0.023	3	117.0397	0.001	3	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	117.2920	0.000	1	117.2920	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	124.2910	0.000	1	124.2910	0.000	1	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	119.5742	1.520	4	119.0419	1.516	8	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	117.8590	0.000	1	119.0419	1.516	8	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6a]C[6a,6a]C[6a])	119.0750	0.000	1	119.0419	1.516	8	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	119.1280	0.000	1	119.0419	1.516	8	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	117.9760	0.000	1	119.0419	1.516	8	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	117.8480	0.089	2	117.8480	0.008	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	119.1855	1.371	2	119.1855	1.880	2	118.3245	2.587	147	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){5|C<3>}	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|S<2>,2|O<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	115.6360	0.000	1	115.6360	0.000	1	116.6230	1.948	2	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,2|H<1>,2|O<1>}	H(N[6a]C[6a,6a]C[6a])	117.6100	0.000	1	117.6100	0.000	1	116.6230	1.948	2	117.6270	4.947	330	117.6857	4.686	366	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	2:3:1:	2:3:1:	3:	N[6a]-2:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a]-3:	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O){2|C<3>}	H(N[6a]C[6a]N[6a])	122.9840	0.000	1	122.9840	0.000	1	122.9840	0.000	1	122.9840	0.000	1	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	2:3:1:	3:3:1:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|N<3>,2|C<4>}	H(N[6a]C[6a]N[6a])	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O){2|C<3>}	H(N[6a]C[6a]N[6a])	116.8780	0.000	1	116.8780	0.000	1	120.6010	27.721	2	120.6010	27.721	2	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:2:1:	3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O){1|C<3>}	H(N[6a]C[6a]N[6a])	124.3240	0.000	1	124.3240	0.000	1	120.6010	27.721	2	120.6010	27.721	2	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]N[6a])	118.8650	0.000	1	118.8650	0.000	1	117.6853	6.345	3	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|S<2>,2|C<3>}	H(N[6a]C[6a]N[6a])	119.3980	0.000	1	117.0955	10.603	2	117.6853	6.345	3	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	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>}	H(N[6a]C[6a]N[6a])	114.7930	0.000	1	117.0955	10.603	2	117.6853	6.345	3	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	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>}	H(N[6a]C[6a]N[6a])	115.7548	0.040	4	115.7548	0.002	4	115.7548	0.002	4	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	116.3720	0.000	1	117.0632	1.173	13	117.0632	1.173	13	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	118.2110	0.847	2	117.0632	1.173	13	117.0632	1.173	13	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	117.1047	0.621	3	117.0632	1.173	13	117.0632	1.173	13	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	116.8161	1.227	7	117.0632	1.173	13	117.0632	1.173	13	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	115.6120	0.000	1	115.6120	0.000	1	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]N[6a])	115.5800	0.000	1	115.9535	0.074	4	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]N[6a])	116.0780	0.135	3	115.9535	0.074	4	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	H(N[6a]C[6a]N[6a])	117.6790	0.000	1	117.6790	0.000	1	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	H(N[6a]C[6a]N[6a])	121.6450	0.000	1	120.8533	0.618	3	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O){1|C<3>,1|N<3>}	H(N[6a]C[6a]N[6a])	120.4575	0.544	2	120.8533	0.618	3	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]N[6a])	122.1900	0.000	1	119.0007	5.605	9	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]N[6a])	122.3250	0.000	1	119.0007	5.605	9	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]N[6a])	117.0670	0.000	1	119.0007	5.605	9	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|C<4>}	H(N[6a]C[6a]N[6a])	120.4185	0.312	2	119.0007	5.605	9	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]N[6a])	117.5780	0.000	1	119.0007	5.605	9	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]N[6a])	117.0030	0.939	3	119.0007	5.605	9	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	H(N[6a]C[6a]N[6a])	116.4855	2.628	2	116.4855	6.908	2	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|F<1>,2|C<4>}	H(N[6a]C[6a]N[6a])	116.5210	0.000	1	116.5210	0.000	1	118.1030	5.788	21	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:1:	3:	C[6a]-3:O[6a]-2:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a]H)(O)	H(N[6a]C[6a]O[6a])	N[6a](C[6a]C[6a,6a]O)(O[6a]B[6a])(H){1|O<2>,2|C<3>}	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>}	H(N[6a]C[6a]O[6a])	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	117.6023	4.353	42	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a])	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a]){1|C<3>,1|O<1>}	H(N[6a]C[6a]N[6a])	124.3150	0.000	1	124.3150	0.000	1	124.3150	0.000	1	124.3150	0.000	1	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	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>}	H(N[6a]C[6a]N[6a])	118.7635	2.302	2	118.7635	5.298	2	118.7635	5.298	2	118.7635	5.298	2	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	119.0720	0.000	1	119.0720	0.000	1	119.0720	0.000	1	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,2|N<3>}	H(N[6a]C[6a]2)	118.2610	0.011	2	118.2610	0.000	2	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.5468	1.624	19	117.5468	2.636	19	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<1>}	H(N[6a]C[6a]2)	116.8880	0.000	1	116.8880	0.000	1	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.4955	3.655	11	117.5839	9.166	16	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	116.7310	0.000	1	117.5839	9.166	16	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.6460	0.000	1	117.5839	9.166	16	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.1713	1.013	3	117.5839	9.166	16	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<1>}	H(N[6a]C[6a]2)	116.8120	0.000	1	116.8120	0.000	1	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	118.3147	0.185	3	118.3147	0.034	3	117.6166	4.600	42	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(N[6a]C[6a]2)	113.6830	2.571	2	113.6830	6.610	2	116.6260	3.886	10	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O){1|C<3>,2|N<3>}	H(N[6a]C[6a]2)	117.4035	0.081	2	117.4035	0.007	2	116.6260	3.886	10	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.7830	0.187	3	117.3478	1.341	6	116.6260	3.886	10	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.9127	1.536	3	117.3478	1.341	6	116.6260	3.886	10	117.4572	4.503	53	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-2:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.1020	0.000	1	116.1020	0.000	1	117.1766	0.457	5	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-2:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	116.9660	0.000	1	117.4043	0.182	3	117.1766	0.457	5	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-2:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.6235	0.276	2	117.4043	0.182	3	117.1766	0.457	5	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-2:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.5680	0.000	1	117.5680	0.000	1	117.1766	0.457	5	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|S<2>}	H(N[6a]C[6a]2)	119.7580	0.000	1	119.7580	0.000	1	119.5367	0.044	3	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	119.4260	0.119	2	119.4260	0.014	2	119.5367	0.044	3	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.4920	0.117	2	117.4920	0.014	2	120.3781	4.218	7	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	121.6167	0.781	4	121.6167	0.610	4	120.3781	4.218	7	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	121.1960	0.000	1	121.1960	0.000	1	120.3781	4.218	7	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	S-2:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H){1|C<3>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|S<2>}	H(N[6a]C[6a]2)	119.8347	4.651	3	119.8347	21.630	3	119.8347	21.630	3	119.2580	6.009	18	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[5a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	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>}	H(N[6a]C[6a]2)	118.0910	0.423	2	118.0910	0.179	2	118.0910	0.179	2	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H){1|N<3>,3|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,4|C<3>}	H(N[6a]C[6a]2)	116.3350	0.000	1	116.3350	0.000	1	118.2160	1.958	8	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(N[6a]C[6a]2)	118.3960	2.318	2	118.3960	5.373	2	118.2160	1.958	8	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(N[6a]C[6a]2)	117.9550	0.000	1	117.9550	0.000	1	118.2160	1.958	8	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	H(N[6a]C[6a]2)	117.8090	0.000	1	118.6615	1.289	4	118.2160	1.958	8	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(N[6a]C[6a]2)	118.0400	0.000	1	118.6615	1.289	4	118.2160	1.958	8	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(N[6a]C[6a]2)	118.4850	0.000	1	118.6615	1.289	4	118.2160	1.958	8	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	H(N[6a]C[6a]2)	120.3120	0.000	1	118.6615	1.289	4	118.2160	1.958	8	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	122.3140	0.000	1	122.3140	0.000	1	120.4775	6.745	2	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	118.6410	0.000	1	118.6410	0.000	1	120.4775	6.745	2	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.2709	1.362	54	117.2709	1.856	54	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.6268	1.578	4	117.6120	1.501	6	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	117.5825	0.173	2	117.6120	1.501	6	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.5795	0.071	2	117.5795	0.005	2	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.6770	0.000	2	117.6770	0.000	2	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.3596	1.776	25	117.4774	2.969	29	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.3660	0.000	1	117.4774	2.969	29	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.1637	1.561	3	117.4774	2.969	29	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	119.2030	0.000	1	119.2030	0.000	1	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.3570	0.349	2	118.3570	0.122	2	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	119.0130	0.000	1	118.7760	0.115	3	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.3870	0.000	1	118.7760	0.115	3	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.9280	0.000	1	118.7760	0.115	3	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	116.6415	0.002	2	116.6415	0.000	2	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	118.3840	0.000	1	118.3840	0.000	1	117.4468	2.015	102	117.5652	2.182	114	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	122.8210	0.580	3	122.8210	0.337	3	122.8210	0.337	3	122.8210	0.337	3	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	2:4:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[5]-4:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(N[6a]C[6a]2)	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O)	H(N[6a]C[5,6a]C[6a])	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>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	H(N[6a]C[5,6a]C[6a])	118.2700	0.000	1	118.2700	0.000	1	118.2700	0.000	1	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	H(N[6a]C[5a,6a]C[6a])	118.6880	0.000	1	120.8595	9.431	2	120.8595	9.431	2	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){3|C<3>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	H(N[6a]C[5a,6a]C[6a])	123.0310	0.000	1	120.8595	9.431	2	120.8595	9.431	2	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.6240	0.211	4	119.6240	0.045	4	119.6612	0.040	5	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	H(N[6a]C[5a,6a]C[6a])	119.8100	0.000	1	119.8100	0.000	1	119.6612	0.040	5	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O)	H(N[6a]C[6,6a]C[6a])	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H){3|C<3>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	H(N[6a]C[6,6a]C[6a])	118.8823	0.809	3	118.8823	0.654	3	118.8823	0.654	3	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){1|C<3>,2|N<2>}	H(N[6a]C[6a,6a]C[6a])	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	H(N[6a]C[6a,6a]C[6a])	117.9570	0.000	1	117.9570	0.000	1	117.9570	0.000	1	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.8800	0.120	2	117.3510	1.541	4	117.3510	1.541	4	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.8220	1.868	2	117.3510	1.541	4	117.3510	1.541	4	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	126.0190	0.000	1	126.0190	0.000	1	120.2189	5.714	11	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	121.4570	0.000	1	119.6389	2.238	10	120.2189	5.714	11	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	118.6093	0.212	3	119.6389	2.238	10	120.2189	5.714	11	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.0800	0.112	2	119.6389	2.238	10	120.2189	5.714	11	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.5070	0.000	1	119.6389	2.238	10	120.2189	5.714	11	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	120.1520	2.213	2	119.6389	2.238	10	120.2189	5.714	11	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	122.1330	0.000	1	119.6389	2.238	10	120.2189	5.714	11	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	H(N[6a]C[6a]2)	118.0555	0.039	2	118.0583	0.001	4	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	118.0610	0.004	2	118.0583	0.001	4	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	114.4450	0.000	1	117.9262	4.087	81	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	H(N[6a]C[6a]2)	116.6320	1.476	2	117.9262	4.087	81	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6a]C[6a]2)	117.5510	2.213	45	117.9262	4.087	81	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6a]C[6a]2)	118.6268	1.519	32	117.9262	4.087	81	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<4>}	H(N[6a]C[6a]2)	118.4600	0.000	1	117.9262	4.087	81	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6a]C[6a]2)	117.3530	0.075	2	117.3530	0.006	2	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|N<3>}	H(N[6a]C[6a]2)	117.3565	1.100	4	117.3565	1.209	4	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	H(N[6a]C[6a]2)	117.2260	0.000	1	117.2260	0.000	1	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	H(N[6a]C[6a]2)	121.8250	0.000	1	121.8250	0.000	1	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H){1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|S<2>}	H(N[6a]C[6a]2)	118.7470	4.094	3	118.7470	16.763	3	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	120.0480	0.000	1	118.3817	2.126	3	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	117.3410	0.000	1	118.3817	2.126	3	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	H(N[6a]C[6a]2)	117.7560	0.000	1	118.3817	2.126	3	117.9679	3.965	99	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.5320	0.000	1	118.2555	1.047	2	118.2555	1.047	2	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.9790	0.000	1	118.2555	1.047	2	118.2555	1.047	2	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|Br<1>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	119.1475	0.308	2	119.1475	0.095	2	117.4120	4.539	6	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	117.9220	0.000	1	117.9220	0.000	1	117.4120	4.539	6	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H){1|Cl<1>,1|C<3>}	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	118.7790	0.000	1	118.7790	0.000	1	117.4120	4.539	6	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	114.7380	0.383	2	114.7380	0.147	2	117.4120	4.539	6	118.2548	4.257	135	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	119.8730	0.000	1	119.1625	1.010	2	120.1852	1.911	4	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.4520	0.000	1	119.1625	1.010	2	120.1852	1.911	4	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	120.6890	0.000	1	121.2080	0.539	2	120.1852	1.911	4	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	121.7270	0.000	1	121.2080	0.539	2	120.1852	1.911	4	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.6500	0.000	1	119.5987	2.386	6	119.4519	2.158	8	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	119.9650	0.000	1	119.5987	2.386	6	119.4519	2.158	8	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	120.0857	2.169	3	119.5987	2.386	6	119.4519	2.158	8	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.7200	0.000	1	119.5987	2.386	6	119.4519	2.158	8	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.8590	0.000	1	117.8590	0.000	1	119.4519	2.158	8	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	120.1640	0.000	1	120.1640	0.000	1	119.4519	2.158	8	119.6963	2.025	12	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2){5|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.0930	0.000	1	117.0930	0.000	1	118.6350	4.756	2	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	120.1770	0.000	1	120.1770	0.000	1	118.6350	4.756	2	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	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>}	H(N[6a]C[6a]2)	119.4890	0.000	1	119.4890	0.000	1	119.4890	0.000	1	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.0829	2.310	10	118.0829	5.338	10	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	114.1775	4.805	2	117.1539	17.617	7	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.1418	4.358	4	117.1539	17.617	7	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	119.1550	0.000	1	117.1539	17.617	7	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	123.9520	0.000	1	123.9520	0.000	1	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.6910	0.044	4	118.6910	0.002	4	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	116.3490	0.000	1	118.3570	1.271	5	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	118.7595	0.069	2	118.3570	1.271	5	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.9585	0.015	2	118.3570	1.271	5	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	116.5060	0.922	2	116.5060	0.850	2	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	114.4590	0.414	2	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	119.5425	2.189	4	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.4350	0.000	1	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.9890	0.000	1	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	119.7363	1.242	3	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.4800	0.000	1	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	119.0394	1.907	14	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	115.6477	1.941	3	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	120.9840	0.000	1	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.4947	0.487	3	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	119.1980	0.000	1	118.5989	4.592	34	118.3616	5.850	63	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N[6]-3:	N[6a]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>}	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>}	H(N[6a]C[6a]2)	118.0990	0.346	2	118.0990	0.120	2	118.0990	0.120	2	118.3785	5.509	68	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:4:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO){3|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.3325	0.896	4	119.3325	0.802	4	119.3325	0.802	4	119.2551	0.835	11	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	119.2180	0.000	1	119.2180	0.000	1	119.2109	0.984	7	119.2551	0.835	11	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	118.4010	0.000	1	118.4010	0.000	1	119.2109	0.984	7	119.2551	0.835	11	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	119.8230	0.920	3	119.3714	1.280	5	119.2109	0.984	7	119.2551	0.835	11	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.7200	0.000	1	119.3714	1.280	5	119.2109	0.984	7	119.2551	0.835	11	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:2:4:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	119.6680	0.000	1	119.3714	1.280	5	119.2109	0.984	7	119.2551	0.835	11	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]H)(O)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	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>}	H(N[6a]B[6a]C[6a])	117.3860	0.000	1	117.3860	0.000	1	117.3860	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<2>,1|C<3>,1|H<1>}	H(N[6a]B[6a]C[6a])	117.2797	2.420	3	117.2797	5.856	3	117.6848	3.287	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(N[6a]B[6a]C[6a])	118.6140	0.000	1	118.6140	0.000	1	117.6848	3.287	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]B[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(N[6a]B[6a]C[6a])	117.9710	0.000	1	117.9710	0.000	1	117.6848	3.287	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	B[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]B[6a]C[6a])	117.7607	0.210	3	117.7607	0.044	3	117.7607	0.044	3	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[5,6a]C[6a])	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>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[5,6a]C[6a])	115.8560	3.489	3	115.8560	12.174	3	115.8560	12.174	3	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	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>}	H(N[6a]C[5a,6a]C[6a])	119.4575	0.136	2	119.4575	0.019	2	119.4120	3.925	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]H)(O)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	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>}	H(N[6a]C[5a,6a]C[6a])	119.3817	2.800	3	119.3817	7.837	3	119.4120	3.925	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.6800	0.839	2	120.0647	0.796	3	120.5060	0.765	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	120.8340	0.000	1	120.0647	0.796	3	120.5060	0.765	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[5a,6a]C[6a])	121.1680	0.096	2	121.1680	0.009	2	120.5060	0.765	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	118.5590	0.134	2	118.5590	0.018	2	118.6680	2.839	12	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]2)(O)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,4|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]2)(O){1|H<1>,1|N<3>,3|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.6130	0.000	1	119.6130	0.000	1	118.6680	2.839	12	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.7210	0.000	1	119.7210	0.000	1	118.6680	2.839	12	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	118.9490	0.000	1	118.5300	4.677	5	118.6680	2.839	12	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	114.7120	0.000	1	118.5300	4.677	5	118.6680	2.839	12	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	119.6630	0.229	3	118.5300	4.677	5	118.6680	2.839	12	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	H(N[6a]C[5a,6a]C[6a])	116.9030	0.000	1	118.3047	4.991	3	118.6680	2.839	12	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	H(N[6a]C[5a,6a]C[6a])	119.0055	2.652	2	118.3047	4.991	3	118.6680	2.839	12	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[5a,6a]C[6a])	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>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[5a,6a]C[6a])	118.9820	0.171	2	118.9820	0.029	2	118.9820	0.029	2	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]H)(O)	H(N[6a]C[6,6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6,6a]C[6a])	117.7800	0.000	1	117.7800	0.000	1	117.7800	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6,6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	H(N[6a]C[6,6a]C[6a])	113.2115	1.020	4	113.2115	1.040	4	115.9746	3.724	17	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6,6a]C[6a])	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>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	H(N[6a]C[6,6a]C[6a])	115.5940	0.000	1	116.3995	1.298	2	115.9746	3.724	17	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6,6a]C[6a])	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>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|Cl<1>,1|C<3>,1|C<4>}	H(N[6a]C[6,6a]C[6a])	117.2050	0.000	1	116.3995	1.298	2	115.9746	3.724	17	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6,6a]C[6a])	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>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6a]C[6,6a]C[6a])	117.5606	0.133	8	117.5606	0.018	8	115.9746	3.724	17	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6,6a]C[6a])	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>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6a]C[6,6a]C[6a])	114.5750	0.000	2	114.5750	0.000	2	115.9746	3.724	17	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6,6a]C[6a])	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>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6a]C[6,6a]C[6a])	116.2890	0.000	1	116.2890	0.000	1	115.9746	3.724	17	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6,6a]C[6a])	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>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6,6a]C[6a])	113.8715	1.824	4	115.3227	7.111	6	115.3227	7.111	6	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6,6a]C[6a])	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>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6,6a]C[6a])	118.2250	0.554	2	115.3227	7.111	6	115.3227	7.111	6	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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[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>}	H(N[6a]C[6a,6a]C[6a])	117.6805	0.022	2	117.6805	0.000	2	117.6805	0.000	2	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O){1|N<3>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.5647	1.168	3	116.5647	1.365	3	116.3280	1.134	4	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){5|C<3>}	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>}	H(N[6a]C[6a,6a]C[6a])	115.6180	0.000	1	115.6180	0.000	1	116.3280	1.134	4	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:S-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S)	H(N[6a]C[6a,6a]C[6a])	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[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S){1|N<2>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H){1|H<1>,4|C<3>}	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>}	H(N[6a]C[6a,6a]C[6a])	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	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>}	H(N[6a]C[6a,6a]C[6a])	117.9540	0.000	1	117.9540	0.000	1	117.6055	0.243	2	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	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>}	H(N[6a]C[6a,6a]C[6a])	117.2570	0.000	1	117.2570	0.000	1	117.6055	0.243	2	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)(H){3|C<3>}	H(N[6a]C[6a,6a]C[6a])	114.6140	0.000	1	114.6140	0.000	1	114.6140	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.2510	0.000	1	115.9732	3.567	5	115.9732	3.567	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	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>}	H(N[6a]C[6a,6a]C[6a])	112.9530	0.000	1	115.9732	3.567	5	115.9732	3.567	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.3140	1.468	2	115.9732	3.567	5	115.9732	3.567	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.0340	0.000	1	115.9732	3.567	5	115.9732	3.567	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	H(N[6a]C[6a,6a]C[6a])	114.6430	0.037	2	114.6430	0.001	2	114.6430	0.001	2	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H)	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O){1|N<2>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.0147	0.059	3	117.0147	0.003	3	117.0147	0.003	3	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H){1|H<1>,4|C<3>}	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>}	H(N[6a]C[6a,6a]C[6a])	117.2890	0.000	1	117.2890	0.000	1	117.2890	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.3880	0.000	1	121.4360	18.581	2	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	124.4840	0.000	1	121.4360	18.581	2	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.9450	0.000	1	118.9450	0.000	1	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.5130	0.000	1	117.9146	3.836	7	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	115.0825	0.374	2	117.9146	3.836	7	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.2430	0.115	2	117.9146	3.836	7	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.1190	0.177	2	117.9146	3.836	7	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.3650	0.000	1	118.7075	2.101	4	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.3670	0.000	1	118.7075	2.101	4	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	120.7680	0.000	1	118.7075	2.101	4	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.3300	0.000	1	118.7075	2.101	4	118.7178	5.173	14	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	114.5430	0.000	1	114.5430	0.000	1	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.0550	0.000	1	116.0550	0.000	1	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	115.7720	0.561	2	116.0140	0.816	5	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|O<2>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.4150	0.000	1	116.0140	0.816	5	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){5|C<3>}	H(N[6a]C[6a,6a]C[6a])	115.5555	0.671	2	116.0140	0.816	5	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.3380	0.000	1	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	H(N[6a]C[6a,6a]C[6a])	115.6980	0.000	1	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	114.8750	0.000	1	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.7380	0.000	1	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.2600	0.000	1	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	115.7768	1.428	6	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.8200	2.650	2	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.3680	1.982	4	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.9243	1.712	3	116.6727	2.858	20	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.7970	0.000	1	117.7991	1.677	29	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.6270	0.000	1	117.7991	1.677	29	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.9903	1.484	3	117.7991	1.677	29	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.8486	1.534	15	117.7991	1.677	29	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.8560	0.000	1	117.7991	1.677	29	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.8400	0.000	1	117.7991	1.677	29	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){3|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.0504	0.965	7	117.7991	1.677	29	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){3|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.4270	0.000	1	117.6035	0.062	2	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.7800	0.000	1	117.6035	0.062	2	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.0870	2.107	4	117.6853	2.686	9	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.1640	1.182	5	117.6853	2.686	9	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O){2|C<3>}	H(N[6a]C[6a,6a]C[6a])	114.2530	0.000	1	114.2530	0.000	1	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.6670	0.000	1	117.0932	0.755	13	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.1287	0.898	12	117.0932	0.755	13	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O){2|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.4710	0.000	1	119.4710	0.000	1	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|Br<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O){1|C<3>,1|H<1>,1|N<2>}	H(N[6a]C[6a,6a]C[6a])	117.4000	0.000	1	117.4000	0.000	1	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>}	H(N[6a]C[6a,6a]C[6a])	117.6553	0.322	6	117.6553	0.104	6	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.8440	0.000	1	116.8440	0.000	1	117.2309	2.076	90	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	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>}	H(N[6a]C[6a,6a]C[6a])	117.4160	0.000	1	117.4160	0.000	1	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O){1|O<1>,2|C<3>,3|C<4>}	H(N[6a]C[6a,6a]C[6a])	113.1880	0.000	1	113.1880	0.000	1	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){1|O<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.9020	0.000	1	117.2325	0.896	2	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){5|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.5630	0.000	1	117.2325	0.896	2	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	115.8830	1.997	3	114.7080	8.181	4	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	111.1830	0.000	1	114.7080	8.181	4	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	117.7005	0.380	2	117.7005	0.144	2	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a,6a]C[6a])	119.1910	1.882	2	119.1910	3.543	2	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	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>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a,6a]C[6a])	117.1857	1.944	9	117.3277	3.119	12	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a,6a]C[6a])	117.7537	1.290	3	117.3277	3.119	12	116.9007	4.821	24	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H){1|N<3>,3|C<3>}	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>}	H(N[6a]C[6a]2)	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	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>}	H(N[6a]C[6a]2)	122.4810	2.172	2	122.4810	4.719	2	122.4810	4.719	2	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.7050	0.000	1	116.7050	0.000	1	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.1940	0.000	1	116.9560	3.035	19	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.4131	1.428	11	116.9560	3.035	19	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	115.0300	3.765	2	116.9560	3.035	19	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	116.6732	1.572	5	116.9560	3.035	19	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	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>}	H(N[6a]C[6a]2)	115.4165	0.218	2	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.1066	0.591	14	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	116.7901	1.285	18	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	116.9080	0.000	1	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.3171	1.275	15	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	116.7035	0.163	2	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.1120	0.000	1	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	114.3070	0.000	1	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.0040	0.000	1	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	116.7870	0.000	1	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	111.5020	0.000	1	116.8304	1.768	57	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]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[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|N<2>}	H(N[6a]C[6a]2)	115.7720	0.000	1	117.2612	5.024	6	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.1000	3.338	2	117.2612	5.024	6	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.8650	2.304	3	117.2612	5.024	6	116.8887	2.194	83	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:S-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	116.8430	0.000	1	116.8430	0.000	1	116.8430	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	H(N[6a]C[6a]2)	120.3147	4.568	3	120.3147	20.864	3	120.4034	10.447	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|O<2>,3|C<3>}	H(N[6a]C[6a]2)	120.5365	0.021	2	120.5365	0.000	2	120.4034	10.447	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	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>}	H(N[6a]C[6a]2)	117.6635	0.360	2	117.6635	0.130	2	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.9095	0.361	4	116.9095	0.130	4	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	117.4510	0.000	1	117.4510	0.000	1	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<4>,3|C<3>}	H(N[6a]C[6a]2)	115.4320	2.486	4	115.4320	6.179	4	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.5940	0.000	1	117.1150	0.778	3	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	116.8755	1.101	2	117.1150	0.778	3	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	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>}	H(N[6a]C[6a]2)	116.8651	3.864	11	117.0168	12.583	13	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	118.0020	0.000	1	117.0168	12.583	13	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.7010	0.000	1	117.0168	12.583	13	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	110.8600	0.000	1	116.1008	8.618	5	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.2640	0.000	1	116.1008	8.618	5	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.2880	0.000	1	116.1008	8.618	5	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.5460	0.260	2	116.1008	8.618	5	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	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>}	H(N[6a]C[6a]2)	117.2316	1.660	32	117.2508	2.454	36	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	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>}	H(N[6a]C[6a]2)	117.5620	0.000	1	117.2508	2.454	36	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	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>}	H(N[6a]C[6a]2)	116.8880	0.000	1	117.2508	2.454	36	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	117.5840	0.082	2	117.2508	2.454	36	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	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>}	H(N[6a]C[6a]2)	118.4050	0.000	1	118.4050	0.000	1	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	115.6905	0.305	2	116.3040	1.176	3	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.5310	0.000	1	116.3040	1.176	3	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]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[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>}	H(N[6a]C[6a]2)	116.7050	0.000	1	116.3145	2.455	17	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	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>}	H(N[6a]C[6a]2)	116.3962	1.787	13	116.3145	2.455	17	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	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>}	H(N[6a]C[6a]2)	115.9110	0.000	1	116.3145	2.455	17	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]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[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>}	H(N[6a]C[6a]2)	115.7905	0.064	2	116.3145	2.455	17	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.4575	0.138	2	117.4575	0.019	2	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	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>}	H(N[6a]C[6a]2)	118.0905	0.445	2	118.0905	0.198	2	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	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>}	H(N[6a]C[6a]2)	115.9335	1.218	2	115.9335	1.484	2	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	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>}	H(N[6a]C[6a]2)	118.0000	0.000	1	118.0000	0.000	1	116.8945	3.885	96	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:S-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	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>}	H(N[6a]C[6a]2)	118.0930	0.000	1	118.0930	0.000	1	118.0930	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(N[6a]C[6a]2)	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	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>}	H(N[6a]C[6a]2)	118.9510	0.000	1	118.0860	1.496	2	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.2210	0.000	1	118.0860	1.496	2	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	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>}	H(N[6a]C[6a]2)	118.3265	0.196	2	118.5405	0.155	4	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	118.7545	0.493	2	118.5405	0.155	4	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	117.0130	0.000	1	117.0130	0.000	1	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	117.1700	0.000	1	117.1700	0.000	1	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	116.4610	0.000	1	118.1408	2.721	6	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	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>}	H(N[6a]C[6a]2)	119.3930	0.000	1	118.1408	2.721	6	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	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>}	H(N[6a]C[6a]2)	118.6110	0.000	1	118.1408	2.721	6	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	119.3510	0.000	2	118.1408	2.721	6	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	115.6780	0.000	1	118.1408	2.721	6	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	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>}	H(N[6a]C[6a]2)	115.1700	0.000	1	116.5380	1.217	5	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(N[6a]C[6a]2)	116.8800	0.918	4	116.5380	1.217	5	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	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>}	H(N[6a]C[6a]2)	117.4830	0.000	1	115.5352	2.131	4	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	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>}	H(N[6a]C[6a]2)	114.8860	0.817	3	115.5352	2.131	4	117.3127	2.451	23	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a]2)	117.9314	0.177	5	117.9314	0.031	5	117.9314	0.031	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	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>}	H(N[6a]C[6a]2)	117.0430	0.000	1	117.0430	0.000	1	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	114.8790	0.000	1	114.8790	0.000	1	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	H(N[6a]C[6a]2)	117.4060	0.055	2	117.4060	0.003	2	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	116.4520	1.863	2	115.7523	1.629	7	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	115.7780	0.000	1	115.7523	1.629	7	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	113.9860	0.000	1	115.7523	1.629	7	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	116.8120	0.000	1	115.7523	1.629	7	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|P<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	115.3930	0.907	2	115.7523	1.629	7	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	118.2420	0.790	3	117.8080	0.741	5	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	117.5460	0.000	1	117.8080	0.741	5	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	116.7680	0.000	1	117.8080	0.741	5	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	H(N[6a]C[6a]2)	118.0970	0.000	1	117.1250	2.249	3	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	H(N[6a]C[6a]2)	117.8800	0.000	1	117.1250	2.249	3	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	H(N[6a]C[6a]2)	115.3980	0.000	1	117.1250	2.249	3	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	117.1883	0.434	3	117.7062	2.540	5	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){3|C<3>}	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>}	H(N[6a]C[6a]2)	118.4830	2.787	2	117.7062	2.540	5	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	115.0470	0.863	3	115.5532	3.458	5	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	116.3125	3.228	2	115.5532	3.458	5	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	114.9230	0.000	1	114.9230	0.000	1	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	119.1640	0.000	1	119.1640	0.000	1	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	118.3293	0.190	3	118.3293	0.036	3	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	118.3120	0.000	1	118.3120	0.000	1	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	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>}	H(N[6a]C[6a]2)	119.1490	0.291	2	119.1490	0.085	2	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.2180	0.161	4	116.8257	1.194	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	117.2768	1.186	5	116.8257	1.194	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.2180	0.000	1	116.8257	1.194	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	117.2450	0.000	1	116.8257	1.194	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.4705	0.104	2	116.8257	1.194	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	118.4150	0.232	2	116.8257	1.194	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	115.7735	1.669	2	116.8257	1.194	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	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>}	H(N[6a]C[6a]2)	116.7928	1.203	5	116.5245	2.904	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(N[6a]C[6a]2)	116.3024	2.228	9	116.5245	2.904	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	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>}	H(N[6a]C[6a]2)	116.7437	0.120	3	116.5245	2.904	17	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	115.3570	0.000	1	115.3570	0.000	1	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(H){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a]2)	116.3303	0.070	4	116.3303	0.005	4	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	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>}	H(N[6a]C[6a]2)	117.1977	1.347	3	117.5280	1.647	4	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	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>}	H(N[6a]C[6a]2)	118.5190	0.000	1	117.5280	1.647	4	116.8393	2.241	80	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:Br-1:	N[6a]-3:	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Br)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Br){1|O<2>,2|O<1>}	H(N[6a]C[6a]2)	119.0805	0.469	2	119.0805	0.220	2	119.0805	0.220	2	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.1060	0.126	2	118.1060	0.016	2	120.9732	6.919	8	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	120.3500	0.000	1	120.3500	0.000	1	120.9732	6.919	8	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	123.8870	0.000	1	123.1080	2.867	4	120.9732	6.919	8	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	122.8483	1.974	3	123.1080	2.867	4	120.9732	6.919	8	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl){1|O<2>,2|O<1>}	H(N[6a]C[6a]2)	118.7920	0.000	1	118.7920	0.000	1	120.9732	6.919	8	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(N[6a]C[6a]2)	117.9613	4.504	3	117.9613	20.284	3	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(N[6a]C[6a]2)	115.4850	0.000	1	115.4850	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	118.0100	0.000	1	119.3810	3.759	2	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	120.7520	0.000	1	119.3810	3.759	2	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.8110	0.000	1	117.8110	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	112.9060	0.000	1	116.1445	20.976	2	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	119.3830	0.000	1	116.1445	20.976	2	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	119.0420	0.000	1	119.0420	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a]2)	119.1078	1.668	4	118.7497	2.174	7	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	H(N[6a]C[6a]2)	118.2723	1.323	3	118.7497	2.174	7	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.5300	0.000	1	117.5300	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.1070	0.939	4	119.1360	4.473	15	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.3920	0.000	1	119.1360	4.473	15	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.3240	0.000	1	119.1360	4.473	15	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.7662	2.477	9	119.1360	4.473	15	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.6562	0.210	4	117.6562	0.044	4	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.6430	0.000	1	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	120.9225	0.278	2	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.0276	1.770	5	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.4098	0.146	5	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.7085	2.689	26	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	120.2280	0.000	1	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.9500	0.000	1	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.2681	1.285	11	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	119.7108	1.584	4	118.7690	4.332	56	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.7680	0.000	1	116.7680	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	118.4770	0.000	1	118.4770	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	120.5450	0.000	1	120.5450	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.6135	0.722	2	117.6135	0.521	2	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	113.3080	0.000	1	113.3080	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	115.5790	0.000	1	115.5790	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	121.9940	0.000	1	121.9940	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	120.6140	0.000	1	120.1925	8.116	29	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	120.8003	1.876	15	120.1925	8.116	29	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.6550	0.000	1	120.1925	8.116	29	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	119.5257	3.868	12	120.1925	8.116	29	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	H(N[6a]C[6a]2)	118.4770	0.000	1	118.4770	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	121.3620	0.000	1	121.3620	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	119.7913	2.135	36	120.0981	5.032	84	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	120.3149	2.322	45	120.0981	5.032	84	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|O<1>,2|N<2>}	H(N[6a]C[6a]2)	121.6110	2.787	2	120.0981	5.032	84	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.3650	0.000	1	120.0981	5.032	84	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	119.4023	1.570	32	119.4348	2.472	34	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<4>,1|O<1>}	H(N[6a]C[6a]2)	118.4390	0.000	1	119.4348	2.472	34	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	121.4690	0.000	1	119.4348	2.472	34	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.4065	0.326	2	118.4065	0.106	2	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.8240	0.000	1	120.7933	8.898	8	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	121.6758	2.946	6	120.7933	8.898	8	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.4670	0.000	1	120.7933	8.898	8	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.5000	0.000	1	117.5000	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|O<2>,2|O<1>}	H(N[6a]C[6a]2)	122.9925	0.262	2	122.9925	0.069	2	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)2(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.3925	3.744	2	119.3925	14.019	2	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	122.5030	0.000	1	119.6905	3.557	46	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.6472	1.820	43	119.6905	3.557	46	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)2(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.2140	3.544	2	119.6905	3.557	46	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)2(H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.7555	1.785	4	119.7555	3.185	4	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	115.9730	0.000	1	115.9730	0.000	1	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.0590	0.000	1	119.6553	5.872	3	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	120.9535	1.278	2	119.6553	5.872	3	119.4868	5.189	319	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	H(N[6a]C[6a]2)	117.5760	0.000	1	117.5760	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a]2)	117.9378	0.131	5	117.9378	0.017	5	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	112.6670	0.000	1	114.5173	5.974	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|S<2>,2|C<3>}	H(N[6a]C[6a]2)	117.2880	0.000	1	114.5173	5.974	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a]2)	113.5970	0.000	1	114.5173	5.974	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){3|C<3>}	H(N[6a]C[6a]2)	115.9955	1.328	4	115.9955	1.763	4	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|C<4>,1|F<1>,3|C<3>}	H(N[6a]C[6a]2)	115.8305	0.093	2	116.3453	0.799	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	H(N[6a]C[6a]2)	117.3750	0.000	1	116.3453	0.799	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	113.5720	0.000	1	116.2687	10.012	12	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	H(N[6a]C[6a]2)	116.2820	5.655	4	116.2687	10.012	12	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	115.9683	1.228	3	116.2687	10.012	12	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	116.9300	0.000	1	116.2687	10.012	12	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6a]C[6a]2)	116.9650	0.061	2	116.2687	10.012	12	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6a]C[6a]2)	117.7600	0.000	1	116.2687	10.012	12	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	117.2450	0.000	1	117.3217	3.914	39	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	H(N[6a]C[6a]2)	114.7500	0.000	1	117.3217	3.914	39	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|H<1>}	H(N[6a]C[6a]2)	117.9997	0.176	3	117.3217	3.914	39	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6a]C[6a]2)	117.1901	2.065	23	117.3217	3.914	39	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	H(N[6a]C[6a]2)	117.5782	1.397	5	117.3217	3.914	39	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	H(N[6a]C[6a]2)	116.5540	0.000	1	117.3217	3.914	39	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a]2)	119.3787	3.064	3	117.3217	3.914	39	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	115.7990	1.283	2	117.3217	3.914	39	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	H(N[6a]C[6a]2)	116.5420	0.000	1	116.5420	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	H(N[6a]C[6a]2)	115.5910	0.935	2	115.5910	0.874	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a]2)	116.1335	1.623	2	116.1335	2.634	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	H(N[6a]C[6a]2)	118.0820	0.115	2	118.0820	0.013	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	117.7170	0.000	1	117.1979	1.849	18	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(N[6a]C[6a]2)	116.0465	1.555	4	117.1979	1.849	18	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	117.3208	1.257	10	117.1979	1.849	18	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(N[6a]C[6a]2)	118.1503	0.872	3	117.1979	1.849	18	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	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>}	H(N[6a]C[6a]2)	118.2740	0.000	1	118.2740	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	117.4530	0.000	1	116.5850	1.507	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	115.7170	0.000	1	116.5850	1.507	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	117.7880	0.000	1	117.2671	5.150	54	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	117.7998	0.832	4	117.2671	5.150	54	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(N[6a]C[6a]2)	118.3764	0.159	5	117.2671	5.150	54	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(N[6a]C[6a]2)	116.3250	0.000	1	117.2671	5.150	54	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	117.3375	2.754	26	117.2671	5.150	54	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	H(N[6a]C[6a]2)	118.6780	0.000	1	117.2671	5.150	54	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	117.7385	0.216	4	117.2671	5.150	54	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	116.2350	2.273	12	117.2671	5.150	54	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	113.3455	0.704	2	114.4733	4.064	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	116.7290	0.000	1	114.4733	4.064	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	115.9546	1.915	5	115.9546	3.666	5	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]2)	118.5940	0.000	1	117.8705	1.047	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	H(N[6a]C[6a]2)	117.1470	0.000	1	117.8705	1.047	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	H(N[6a]C[6a]2)	118.2035	0.947	2	118.2035	0.896	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	H(N[6a]C[6a]2)	116.9850	4.124	2	116.9850	17.006	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	H(N[6a]C[6a]2)	118.6710	0.482	3	118.5850	0.185	4	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|C<3>}	H(N[6a]C[6a]2)	118.3270	0.000	1	118.5850	0.185	4	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<2>}	H(N[6a]C[6a]2)	119.3885	0.035	2	119.3885	0.001	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|P<3>}	H(N[6a]C[6a]2)	114.9650	0.000	1	113.4963	1.618	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|P<4>}	H(N[6a]C[6a]2)	112.7620	0.000	2	113.4963	1.618	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	119.0155	0.018	2	119.0155	0.000	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	116.4890	0.000	1	116.4890	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|C<4>}	H(N[6a]C[6a]2)	116.8700	1.099	4	116.8700	1.208	4	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	H(N[6a]C[6a]2)	117.5760	0.185	2	117.5760	0.034	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	117.2210	0.000	1	117.2900	5.340	5	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|O<2>}	H(N[6a]C[6a]2)	118.6370	0.260	3	117.2900	5.340	5	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|H<1>}	H(N[6a]C[6a]2)	113.3180	0.000	1	117.2900	5.340	5	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	119.9550	0.000	1	118.8224	1.985	9	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|O<2>}	H(N[6a]C[6a]2)	118.3650	2.406	2	118.8224	1.985	9	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|H<1>}	H(N[6a]C[6a]2)	117.4905	0.180	2	118.8224	1.985	9	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.8770	0.528	2	118.8224	1.985	9	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	120.9380	0.000	1	118.8224	1.985	9	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	119.0440	0.000	1	118.8224	1.985	9	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	121.6510	0.288	2	121.6510	0.083	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	117.2998	1.495	4	117.5278	1.937	5	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	H(N[6a]C[6a]2)	118.4400	0.000	1	117.5278	1.937	5	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	115.6940	0.000	1	115.6940	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	117.2230	0.000	1	118.8409	2.904	31	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	118.7785	1.426	10	118.8409	2.904	31	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	121.0620	1.727	3	118.8409	2.904	31	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	118.8320	0.000	1	118.8409	2.904	31	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<2>}	H(N[6a]C[6a]2)	118.8275	0.011	2	118.8409	2.904	31	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	H(N[6a]C[6a]2)	118.5277	1.840	14	118.8409	2.904	31	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	H(N[6a]C[6a]2)	117.8840	0.107	2	118.6669	0.248	8	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	H(N[6a]C[6a]2)	118.8917	0.106	3	118.6669	0.248	8	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	H(N[6a]C[6a]2)	118.9640	0.171	3	118.6669	0.248	8	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	116.7050	0.000	1	116.7050	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.1840	0.368	2	116.1840	0.135	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	114.7320	1.874	4	114.7320	3.511	4	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.3100	0.000	1	116.3100	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.2975	1.817	2	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.4590	0.000	1	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.5480	0.000	1	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.5578	1.264	15	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	117.1360	0.133	2	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<2>}	H(N[6a]C[6a]2)	119.3205	1.092	2	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|O<2>}	H(N[6a]C[6a]2)	118.0820	0.000	1	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.5752	1.453	5	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.1650	1.764	111	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.2790	0.215	8	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	H(N[6a]C[6a]2)	116.6125	0.021	2	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.6691	1.596	12	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	119.8487	4.895	4	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	116.5870	0.000	1	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Rh<6>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.8840	0.003	2	117.2923	3.154	169	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	116.1950	0.000	1	116.0478	2.686	10	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	116.5255	0.135	2	116.0478	2.686	10	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	115.6026	1.937	5	116.0478	2.686	10	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	118.4860	0.000	1	116.0478	2.686	10	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){3|C<3>}	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>}	H(N[6a]C[6a]2)	114.7330	0.000	1	116.0478	2.686	10	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.9772	1.456	32	117.0283	2.290	72	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.1330	1.603	36	117.0283	2.290	72	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|O<2>}	H(N[6a]C[6a]2)	118.4750	0.000	1	117.0283	2.290	72	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	115.8343	0.061	3	117.0283	2.290	72	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<2>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.1850	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.1370	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.7387	1.497	3	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.0321	2.211	69	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|W<6>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.6380	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.1771	1.383	31	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.8370	0.843	10	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.0127	1.044	3	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.1610	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	H(N[6a]C[6a]2)	116.2518	2.617	4	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.1150	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.4555	2.081	11	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.5450	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.4050	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.1923	1.206	3	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	114.7360	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.3620	0.000	1	117.1833	3.534	143	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	115.7855	0.346	2	116.0687	0.150	4	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.3520	0.095	2	116.0687	0.150	4	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	H(N[6a]C[6a]2)	119.2840	0.000	1	116.4253	1.871	11	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	115.8723	1.243	6	116.4253	1.871	11	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	116.1745	0.630	2	116.4253	1.871	11	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<4>}	H(N[6a]C[6a]2)	116.9050	0.000	1	116.4253	1.871	11	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.9060	0.000	1	116.4253	1.871	11	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	114.6800	0.000	1	114.6800	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	121.8050	0.000	1	121.8050	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.5920	0.000	1	117.5920	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.8263	2.878	3	117.8263	8.281	3	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<1>}	H(N[6a]C[6a]2)	117.5870	0.000	1	117.7363	2.613	6	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	H(N[6a]C[6a]2)	117.7820	0.000	1	117.7363	2.613	6	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	H(N[6a]C[6a]2)	118.7310	0.000	1	117.7363	2.613	6	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	H(N[6a]C[6a]2)	117.4393	2.428	3	117.7363	2.613	6	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	H(N[6a]C[6a]2)	119.2360	0.000	1	117.4890	0.597	24	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<1>}	H(N[6a]C[6a]2)	116.0520	0.000	1	117.4890	0.597	24	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	H(N[6a]C[6a]2)	118.5770	0.000	1	117.4890	0.597	24	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|S<2>}	H(N[6a]C[6a]2)	119.1130	0.000	1	117.4890	0.597	24	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<1>}	H(N[6a]C[6a]2)	117.3380	0.478	20	117.4890	0.597	24	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	H(N[6a]C[6a]2)	117.1495	0.221	2	117.1495	0.049	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(N[6a]C[6a]2)	115.8710	0.000	1	115.8710	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.6320	0.000	1	116.6320	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	H(N[6a]C[6a]2)	118.0000	0.525	2	118.0000	0.275	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	H(N[6a]C[6a]2)	119.8500	0.000	1	119.8500	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	118.3818	2.418	5	118.3818	5.847	5	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	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>}	H(N[6a]C[6a]2)	117.0930	0.000	1	117.0930	0.000	1	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	H(N[6a]C[6a]2)	118.1230	0.322	2	118.1230	0.104	2	117.2636	3.543	710	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	116.5560	0.000	1	116.5560	0.000	1	116.5560	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	H(N[6a]C[6a]2)	117.1610	0.000	1	117.1610	0.000	1	115.6370	2.266	6	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	H(N[6a]C[6a]2)	114.7010	1.059	2	114.7010	1.122	2	115.6370	2.266	6	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(N[6a]C[6a]2)	117.7680	0.000	1	117.7680	0.000	1	115.6370	2.266	6	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	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>}	H(N[6a]C[6a]2)	114.7455	0.064	2	114.7455	0.004	2	115.6370	2.266	6	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	115.2938	2.469	5	115.2938	6.098	5	115.2938	6.098	5	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	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>}	H(N[6a]C[6a]2)	115.0410	0.000	1	115.0410	0.000	1	115.0410	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(H){1|C<3>,2|O<1>}	H(N[6a]C[6a]2)	117.2360	0.000	1	117.2360	0.000	1	118.5532	0.866	4	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)2(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(H){1|C<3>,2|O<1>}	H(N[6a]C[6a]2)	118.9250	0.506	2	118.9250	0.256	2	118.5532	0.866	4	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(H){1|C<3>,2|O<1>}	H(N[6a]C[6a]2)	119.1270	0.000	1	119.1270	0.000	1	118.5532	0.866	4	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]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[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	115.8060	0.000	1	113.8930	5.862	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	112.9365	2.497	2	113.8930	5.862	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	114.0077	1.861	3	114.0077	3.462	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	114.9945	1.687	14	114.9945	2.846	14	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]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[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>}	H(N[6a]C[6a]2)	114.4360	0.000	1	115.2703	0.569	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	115.6875	0.308	2	115.2703	0.569	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]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[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	115.7570	0.008	2	115.7570	0.000	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	115.2300	0.000	1	115.1160	3.268	5	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	117.8200	0.000	1	115.1160	3.268	5	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	115.6140	0.000	1	115.1160	3.268	5	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	113.4580	0.000	2	115.1160	3.268	5	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.8125	0.453	2	117.2138	0.140	6	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.4145	0.058	4	117.2138	0.140	6	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	115.5474	1.107	5	115.6753	0.981	13	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	116.2208	0.136	4	115.6753	0.981	13	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	115.2897	1.284	4	115.6753	0.981	13	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.2140	0.000	1	116.4920	0.155	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.7700	0.000	1	116.4920	0.155	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	116.2337	2.261	9	115.9669	3.751	14	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	114.6430	0.464	3	115.9669	3.751	14	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	116.7525	0.548	2	115.9669	3.751	14	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|O<1>,4|C<3>}	H(N[6a]C[6a]2)	117.5990	0.000	1	117.5990	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	117.4750	1.489	10	117.5581	3.780	39	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.5868	2.101	29	117.5581	3.780	39	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	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[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	119.7620	0.000	2	119.7620	0.000	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	113.4650	0.000	1	113.4650	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	117.6530	0.000	1	116.3355	2.811	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	115.8963	1.749	3	116.3355	2.811	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.8790	0.000	1	117.8560	2.599	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.6700	0.000	1	117.8560	2.599	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Cl<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	115.4540	0.000	1	117.8560	2.599	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.4210	0.000	1	117.8560	2.599	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.1350	0.000	1	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.0540	2.024	16	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.2156	2.089	36	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.3830	0.245	2	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	115.5752	3.352	6	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	118.4460	0.000	1	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.2170	0.000	1	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.3260	0.000	1	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.7149	3.134	12	117.1782	5.442	76	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.5070	0.000	1	117.5000	0.068	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.7570	0.000	1	117.5000	0.068	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.2360	0.000	1	117.5000	0.068	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.6955	1.514	2	117.6955	2.292	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.2250	0.000	1	117.2250	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	114.6450	0.000	1	113.8840	1.158	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	113.1230	0.000	1	113.8840	1.158	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	116.5740	0.115	3	116.7007	0.058	8	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	116.7768	0.273	5	116.7007	0.058	8	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	113.8037	2.251	6	113.8037	5.068	6	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a]2)	115.2310	0.000	1	115.2310	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	115.5427	1.007	23	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	117.8100	0.000	1	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.2891	2.045	23	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	113.2660	0.000	1	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	115.6688	1.631	5	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	115.7050	1.870	43	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.3804	1.110	10	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	115.3520	0.000	1	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.6095	0.170	2	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	115.9710	0.000	1	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	115.8190	0.084	3	115.8643	2.727	113	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	116.4970	0.000	1	116.4970	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	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>}	H(N[6a]C[6a]2)	116.3520	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	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>}	H(N[6a]C[6a]2)	115.2080	1.715	2	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	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>}	H(N[6a]C[6a]2)	114.9360	1.767	8	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	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>}	H(N[6a]C[6a]2)	114.3440	0.000	2	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	115.3803	2.447	34	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	111.1040	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	114.6313	2.243	3	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	115.7290	1.056	3	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	116.7470	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	116.8025	0.705	2	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	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>}	H(N[6a]C[6a]2)	115.7860	0.288	2	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	115.9126	1.711	48	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	115.7410	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	116.5820	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	116.8985	0.316	2	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	111.7140	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	116.4020	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	115.9110	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	111.9130	0.000	1	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	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>}	H(N[6a]C[6a]2)	116.7409	1.450	9	115.6332	3.873	124	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	116.4390	0.000	1	116.7795	0.214	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	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>}	H(N[6a]C[6a]2)	117.0885	0.508	2	116.7795	0.214	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	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>}	H(N[6a]C[6a]2)	116.5020	0.000	1	116.7795	0.214	4	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Cd)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Cd)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.0570	0.000	1	117.0570	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	115.8100	2.105	11	115.8100	4.430	11	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a]W)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|W<6>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a]W)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.6420	0.000	1	116.6420	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	118.8700	0.000	1	117.9985	1.519	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|N<2>,2|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	117.1270	0.000	1	117.9985	1.519	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	114.8740	0.000	1	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.4523	1.539	16	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	117.8360	0.864	4	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<2>}	H(N[6a]C[6a]2)	113.9550	1.008	2	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	116.4720	0.000	1	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.2903	1.462	36	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.2625	0.028	2	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.1412	1.082	6	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	118.0740	1.593	4	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<4>}	H(N[6a]C[6a]2)	116.6350	0.000	1	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.0040	0.000	1	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	112.4500	0.000	1	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	116.6170	0.924	10	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.4940	0.000	1	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.7692	3.690	4	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	115.5347	1.205	3	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	116.4333	1.434	31	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	114.6766	1.085	12	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	115.9193	4.419	8	116.2659	3.405	144	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Mg)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Mg)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.0290	0.000	1	117.0290	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Mn)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Mn)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.3150	0.000	1	117.3150	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	116.5890	1.566	3	116.5890	2.453	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Pd)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]Pd)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	116.5250	0.000	1	116.5250	0.000	1	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Rh)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Rh<6>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]Rh)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.8575	0.009	2	116.8575	0.000	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.4570	0.000	1	118.4060	2.209	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.3550	0.000	1	118.4060	2.209	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<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>}	H(N[6a]C[6a]2)	116.5497	2.411	3	116.5497	5.815	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<2>}	H(N[6a]C[6a]2)	114.5545	1.098	2	115.7800	5.109	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<4>}	H(N[6a]C[6a]2)	118.2310	0.000	1	115.7800	5.109	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|B<3>,1|C<4>,1|H<1>}	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.7710	2.184	3	117.7710	4.772	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|B<3>,1|C<4>,1|H<1>}	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	114.8590	2.903	3	114.8590	8.427	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|O<1>}	H(N[6a]C[6a]2)	117.4085	0.009	2	117.4085	0.000	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	115.2115	1.462	2	115.2115	2.136	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	119.7970	1.830	2	119.2277	2.647	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){2|Cu<2>,1|C<3>}	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.0890	0.000	1	119.2277	2.647	3	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]Fe)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Fe)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.1640	1.764	2	118.1640	3.110	2	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	119.1900	0.198	2	117.6984	2.168	64	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	115.3690	0.000	1	117.6984	2.168	64	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<2>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	118.1985	0.391	2	117.6984	2.168	64	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.5286	1.378	44	117.6984	2.168	64	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	116.0310	1.812	2	117.6984	2.168	64	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.6650	1.574	2	117.6984	2.168	64	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.5325	0.030	2	117.6984	2.168	64	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.7597	1.642	9	117.6984	2.168	64	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O)	H(N[6a]C[6a]2)	N[6a](C[6a]N[6a]O)2(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	116.8208	1.718	9	116.8208	2.950	9	116.3644	3.961	720	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:S-1:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)2(S)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(S){1|C<3>,2|O<1>}	H(N[6a]C[6a]2)	117.6603	0.698	19	117.6603	0.487	19	117.6603	0.487	19	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){2|H<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	118.4740	0.000	1	118.4740	0.000	1	118.4740	0.000	1	117.2739	4.869	2304	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:S-2:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SC)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.8870	0.000	1	118.8870	0.000	1	118.8870	0.000	1	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N-2:	N[6a]-3:	N[6a](C[6a]C[6a,6a]N)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]N)2(H){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	H(N[6a]C[6a]2)	112.5820	0.000	1	112.5820	0.000	1	116.3800	28.850	2	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N-2:	N[6a]-3:	N[6a](C[6a]C[6a,6a]N)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]N)2(H){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH){1|H<1>,1|N<2>,3|C<3>}	H(N[6a]C[6a]2)	120.1780	0.000	1	120.1780	0.000	1	116.3800	28.850	2	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-2:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.9457	0.121	3	117.9457	0.015	3	117.9457	0.015	3	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(N[6a]C[6a]2)	118.8745	0.493	2	118.6388	0.155	4	118.8680	3.871	7	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	H(N[6a]C[6a]2)	118.4100	0.000	1	118.6388	0.155	4	118.8680	3.871	7	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a]2)	118.3960	0.000	1	118.6388	0.155	4	118.8680	3.871	7	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>}	H(N[6a]C[6a]2)	117.3055	1.153	2	117.3055	1.330	2	118.8680	3.871	7	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(N[6a]C[6a]2)	122.9100	0.000	1	122.9100	0.000	1	118.8680	3.871	7	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	H(N[6a]C[6a]2)	120.6195	0.023	2	120.6195	0.001	2	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|O<1>}	H(N[6a]C[6a]2)	121.1120	0.000	1	121.1120	0.000	1	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.5830	0.112	2	118.5830	0.012	2	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OMn)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OMn){1|H<1>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	117.1540	0.000	1	117.1540	0.000	1	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(ONi)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(ONi){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.1210	0.038	2	117.1210	0.001	2	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPd)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPd){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	113.5950	0.000	1	113.5950	0.000	1	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPt)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPt){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.0980	0.000	1	117.0980	0.000	1	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCo)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCo){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	114.4830	0.000	1	114.4830	0.000	1	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCu)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCu){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	116.2970	0.000	1	116.2970	0.000	1	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.9610	0.000	1	119.9610	0.000	1	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.6335	0.329	2	118.6335	0.108	2	117.9743	4.757	15	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:S-2:	N[6a]-3:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(SC[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(SC[6a]){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	121.9655	1.787	2	121.9655	3.193	2	121.9655	3.193	2	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	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>}	H(N[6a]C[6a]2)	117.6360	0.000	1	117.6360	0.000	1	119.6990	8.512	2	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	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>}	H(N[6a]C[6a]2)	121.7620	0.000	1	121.7620	0.000	1	119.6990	8.512	2	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|C<4>,1|N<2>,2|C<3>,2|O<1>}	H(N[6a]C[6a]2)	118.9470	0.003	2	118.9470	0.000	2	118.9470	0.000	2	118.4210	5.215	35	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H)	H(N[6a]B[6a]C[6a])	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]H){3|H<1>,4|C<3>}	H(N[6a]B[6a]C[6a])	117.0145	0.063	2	117.0145	0.004	2	117.0145	0.004	2	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH)	H(N[6a]C[5,6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[5,6a]C[6a])	118.6550	5.288	2	118.6550	27.960	2	118.6550	27.960	2	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C[5a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2)	H(N[6a]C[6a,6a]C[6a])	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[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>}	H(N[6a]C[6a,6a]C[6a])	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]B[6a]C)(COO)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|B<3>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]B[6a]C)(COO){1|O<2>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.5370	0.000	1	119.5370	0.000	1	119.4485	0.688	4	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|O<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.1850	0.000	1	119.1850	0.000	1	119.4485	0.688	4	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.5360	1.404	2	119.5360	1.972	2	119.4485	0.688	4	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.9530	0.000	1	118.9530	0.000	1	118.9432	2.450	11	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.3663	1.825	3	119.3663	3.332	3	118.9432	2.450	11	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.5325	0.107	2	118.5325	0.011	2	118.9432	2.450	11	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]S)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]S){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.2230	0.165	2	118.2230	0.027	2	118.9432	2.450	11	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|O<1>,2|H<1>,6|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.7700	0.000	1	118.7700	0.000	1	118.9432	2.450	11	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.7650	0.000	1	116.7650	0.000	1	118.9432	2.450	11	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a,6a]C[6a])	122.2770	0.000	1	122.2770	0.000	1	118.9432	2.450	11	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.3770	0.040	2	118.3770	0.002	2	118.5163	0.059	3	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.7950	0.000	1	118.7950	0.000	1	118.5163	0.059	3	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:S-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.8050	0.000	1	119.0830	0.155	2	119.0830	0.155	2	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:S-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.3610	0.000	1	119.0830	0.155	2	119.0830	0.155	2	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	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>}	H(N[6a]C[6a]2)	118.1675	0.005	2	118.1675	0.000	2	118.1675	0.000	2	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.2930	0.000	1	117.3085	0.000	2	117.3085	0.000	2	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	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>}	H(N[6a]C[6a]2)	117.3240	0.000	1	117.3085	0.000	2	117.3085	0.000	2	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	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>}	H(N[6a]C[6a]2)	117.6590	0.000	1	117.6590	0.000	1	117.6590	0.000	1	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(N[6a]C[6a]2)	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a]2)	117.5695	0.400	2	117.5695	0.160	2	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a]2)	117.1520	0.000	1	117.1520	0.000	1	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(N[6a]C[6a]2)	118.7090	0.000	1	118.7090	0.000	1	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(N[6a]C[6a]2)	117.4105	0.062	2	117.4105	0.004	2	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a]2)	119.0030	0.000	1	119.0030	0.000	1	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a]2)	120.1810	0.000	1	118.5070	5.605	2	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a]2)	116.8330	0.000	1	118.5070	5.605	2	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|P<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a]2)	117.7845	0.515	2	117.7845	0.266	2	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(N[6a]C[6a]2)	117.2640	0.000	1	118.8155	4.814	2	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(N[6a]C[6a]2)	120.3670	0.000	1	118.8155	4.814	2	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(N[6a]C[6a]2)	122.4030	0.000	1	120.2768	2.362	5	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(N[6a]C[6a]2)	119.7452	1.125	4	120.2768	2.362	5	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(N[6a]C[6a]2)	117.5060	0.000	1	117.5060	0.000	1	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)2(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(N[6a]C[6a]2)	118.6762	0.164	4	118.6762	0.027	4	118.6362	2.013	23	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(COO)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(COO){1|O<1>,4|C<3>}	H(N[6a]C[6a]2)	118.8270	0.000	1	118.8270	0.000	1	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.4440	0.000	1	117.4440	0.000	1	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	116.3700	0.000	1	116.3700	0.000	1	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.2477	2.257	3	116.2477	5.096	3	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|O<1>}	H(N[6a]C[6a]2)	121.0445	1.191	2	121.0445	1.420	2	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.6530	0.000	1	119.6530	0.000	1	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.1300	0.000	1	117.1300	0.000	1	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	119.6081	2.253	29	119.6081	5.077	29	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	119.0255	2.572	2	119.0255	6.614	2	119.1937	5.349	41	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C[5]-3:	N[6a]-3:	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2)	H(N[6a]C[6a]2)	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[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>}	H(N[6a]C[6a]2)	119.7130	0.000	2	119.7130	0.000	2	119.7130	0.000	2	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.8240	3.132	2	117.8240	9.812	2	117.9926	2.071	9	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.2300	0.000	1	117.2300	0.000	1	117.9926	2.071	9	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.4270	0.000	1	118.4270	0.000	1	117.9926	2.071	9	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	117.5670	0.342	2	118.4647	2.476	3	117.9926	2.071	9	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	120.2600	0.000	1	118.4647	2.476	3	117.9926	2.071	9	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.5010	0.000	1	117.6170	0.027	2	117.9926	2.071	9	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.7330	0.000	1	117.6170	0.027	2	117.9926	2.071	9	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	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>}	H(N[6a]C[6a]2)	121.1360	0.000	1	121.1360	0.000	1	121.1360	0.000	1	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H){1|N<3>,2|C<3>,4|O<1>}	H(N[6a]C[6a]2)	123.9330	0.000	1	123.9330	0.000	1	123.9330	0.000	1	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:P-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	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>}	H(N[6a]C[6a]2)	120.9725	0.932	4	120.9725	0.869	4	120.9725	0.869	4	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.2880	1.187	2	117.2880	1.408	2	117.6008	0.602	4	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)2(NHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]H)2(NHH){1|C<3>,2|O<1>}	H(N[6a]C[6a]2)	117.9135	0.084	2	117.9135	0.007	2	117.6008	0.602	4	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6a]-3:H-1:	C[6]-3:N[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]Cu)(H)	C[6a](C[6]C[6]N[6])(N[6a]N[6a]Cu)(N[6a]N[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]Cu)(H){1|Cu<4>,2|C<3>,2|N<3>}	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>}	H(N[6a]C[6a]N[6a])	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	118.9295	3.631	118	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[5a,6a]C[6a])	121.8610	0.000	1	121.8610	0.000	1	120.1257	1.476	7	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(N[6a]C[5a,6a]C[6a])	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[5a,6a]C[6a])	119.8365	1.034	6	119.8365	1.068	6	120.1257	1.476	7	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(N[6a]C[6,6a]C[6a])	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[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6,6a]C[6a])	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	118.0570	0.000	1	118.0570	0.000	1	117.8190	2.065	3	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	116.2780	0.000	1	116.2780	0.000	1	117.8190	2.065	3	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(N[6a]C[6a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]C[6a])	119.1220	0.000	1	119.1220	0.000	1	117.8190	2.065	3	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	116.6790	0.000	1	116.6790	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CC3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CC3){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	121.2180	0.000	1	121.2180	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	116.5800	0.000	1	116.5800	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	116.9030	0.066	2	116.9030	0.004	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	117.3810	0.000	1	116.9504	0.142	5	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	116.8427	0.335	4	116.9504	0.142	5	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	119.1810	0.000	2	119.1810	0.000	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.3030	0.000	1	117.3030	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.5030	0.000	1	119.5030	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	119.0290	0.000	1	119.0290	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(N[6a]C[6a]2)	123.0600	0.000	1	123.0600	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a]2)	116.9415	0.062	2	116.9415	0.004	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	118.8165	0.118	2	118.8165	0.014	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.2980	0.000	1	117.2980	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	120.3270	0.000	1	118.1587	3.547	3	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.2170	0.000	1	118.1587	3.547	3	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	116.9320	0.000	1	118.1587	3.547	3	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	121.0070	9.850	2	119.1710	14.889	9	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	118.8177	1.577	3	119.1710	14.889	9	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	118.5180	1.663	4	119.1710	14.889	9	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	116.8920	0.000	1	116.8920	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|F<1>,1|O<1>}	H(N[6a]C[6a]2)	118.4445	0.244	2	118.4445	0.060	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	117.3785	0.084	2	117.6589	2.870	27	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.1930	0.000	1	117.6589	2.870	27	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.6536	1.871	22	117.6589	2.870	27	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]2)	118.3130	0.000	1	117.6589	2.870	27	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	117.1470	0.000	1	117.6589	2.870	27	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.3260	0.000	1	118.3260	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	124.9820	4.591	2	124.9820	21.073	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	120.5075	4.609	4	120.5075	21.239	4	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	121.3822	2.356	10	121.3822	5.550	10	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	118.0595	0.036	2	118.0595	0.001	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.8940	0.071	2	117.8940	0.005	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.0640	0.000	1	118.0640	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.5990	0.000	1	118.5990	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	123.1260	0.000	1	123.1260	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|O<1>}	H(N[6a]C[6a]2)	118.4680	0.440	2	119.7835	2.890	4	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	121.0990	1.247	2	119.7835	2.890	4	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	119.5950	0.000	1	119.5950	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	120.0460	0.000	1	120.0460	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CPtHH)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CPtHH){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	117.5530	0.000	1	117.5530	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|O<2>,2|O<1>}	H(N[6a]C[6a]2)	117.9910	0.000	1	117.9910	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.8530	2.817	2	118.8530	7.936	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]2)	118.7455	0.230	2	118.7455	0.053	2	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CC3)	H(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]2)	117.1600	0.000	1	117.1600	0.000	1	118.7921	6.590	100	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:P-4:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(PC[6a]2S)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(PC[6a]2S){1|O<1>,4|C<3>}	H(N[6a]C[6a]2)	115.1920	2.568	2	115.1920	6.596	2	117.8890	8.385	7	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:P-4:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(PC[6a]2Ru)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(PC[6a]2Ru){1|O<1>,2|C<3>}	H(N[6a]C[6a]2)	117.2130	0.357	3	117.2130	0.128	3	117.8890	8.385	7	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:P-4:	N[6a]-3:	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2Pt)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2Pt){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]2)	121.6000	0.000	2	121.6000	0.000	2	117.8890	8.385	7	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437
217	643	951	0:SP2_SP-NON_SP2	N[6a]	C[6a]	H	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:S-4:	N[6a]-3:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(SO3)	H(N[6a]C[6a]2)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(SO3){1|N<3>,2|O<1>}	H(N[6a]C[6a]2)	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	118.7854	6.246	119	117.5410	5.061	3040	117.5706	5.033	3437